60602296 -OEChem-05012417242D 67 70 0 0 0 0 0 0 0999 V2000 4.1215 -1.6512 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 0.6852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -5.9623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -6.1714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9003 4.6852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4362 0.6852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5996 -2.3093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9993 5.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8013 5.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7768 6.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0238 6.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4003 6.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4003 6.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9003 3.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0343 3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1682 3.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0343 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3022 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3022 3.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1682 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4362 1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5702 0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5702 -0.8148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 -1.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 -2.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2147 -3.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7906 -0.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 -4.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2202 -3.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -5.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -5.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8135 -4.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 -6.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3793 5.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8614 4.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9392 4.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4213 5.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3902 6.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2182 5.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5824 5.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4104 6.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5383 7.4803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 7.1449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9589 7.1449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2623 7.4803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1123 3.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5109 3.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1682 4.3052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5712 1.8752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7653 3.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1682 1.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 2.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8256 1.5776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9731 0.3752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7822 -1.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1808 -0.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6617 -0.3016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4191 -4.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 -3.0337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 -4.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0104 -6.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3246 -7.4423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1432 -7.1280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 -5.6593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -6.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -6.8925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 27 1 0 0 0 0 2 22 2 0 0 0 0 3 30 1 0 0 0 0 3 33 1 0 0 0 0 4 31 1 0 0 0 0 4 34 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 55 1 0 0 0 0 7 24 1 0 0 0 0 7 25 2 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 13 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 49 1 0 0 0 0 17 20 2 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 27 2 0 0 0 0 25 26 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 58 1 0 0 0 0 28 30 1 0 0 0 0 28 59 1 0 0 0 0 29 32 2 0 0 0 0 29 60 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 M END > 60602296 > 1 > 608 > 6 > 1 > 9 > AAADcfB7MABAAAAAAAAAAAAAAAAAAWAAAAAwYAAABYAAAAAB0AAAHgQQAAAADAzF3gayh5PIFAisAyVyVACC+KBhKjgIiLU+rJgNJrqk9RuEMCpk1hGqqAew0BIOYAABAAAAQADAAAIAAACAAAAAAAAAAA== > N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]acetamide > N-[[4-(1-azepanylmethyl)phenyl]methyl]-2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]acetamide > N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide > N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide > N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethanamide > N-[4-(azepan-1-ylmethyl)benzyl]-2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]acetamide > InChI=1S/C27H33N3O3S/c1-32-24-12-11-22(15-25(24)33-2)27-29-23(19-34-27)16-26(31)28-17-20-7-9-21(10-8-20)18-30-13-5-3-4-6-14-30/h7-12,15,19H,3-6,13-14,16-18H2,1-2H3,(H,28,31) > PKFBLXJWXICXMI-UHFFFAOYSA-N > 4.3 > 479.22426310 > C27H33N3O3S > 479.6 > COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=C(C=C3)CN4CCCCCC4)OC > COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=C(C=C3)CN4CCCCCC4)OC > 91.9 > 479.22426310 > 0 > 34 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 25 8 1 27 8 15 16 8 15 17 8 16 19 8 17 20 8 18 19 8 18 20 8 24 27 8 26 28 8 26 29 8 28 30 8 29 32 8 30 31 8 31 32 8 7 24 8 7 25 8 $$$$