72287 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 16 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 5 5 6 6 7 7 8 8 8 9 9 10 10 11 12 13 13 14 14 15 15 15 16 16 16 17 17 18 18 19 20 20 21 22 23 23 23 11 12 19 23 6 9 10 7 15 16 6 7 8 24 25 26 27 28 29 30 31 11 13 12 14 17 18 19 32 20 33 34 35 36 37 38 39 21 40 22 41 21 22 42 43 44 45 46 47 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 5 6 7 8 24 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 4.666 8.1962 4.666 2.934 3.8 4.666 3.8 2.934 5.5321 3.8 5.5321 3.8 6.426 2.9061 2.934 2.068 6.426 2.9061 7.3321 2 7.3321 2 9.0641 3.8 5.2766 4.8781 4.4106 4.0121 2.624 2.397 3.244 6.4188 2.9132 3.554 2.934 2.314 1.758 1.531 2.378 6.4188 2.9132 1.4643 7.8678 1.4643 8.7562 9.6022 9.372 -2.9827 -0.9585 -0.9827 2.0173 0.5173 0.0173 1.5173 0.0173 -1.4827 -1.4827 -2.4827 -2.4827 -0.948 -0.948 3.0173 1.5173 -3.0173 -3.0173 -1.4619 -1.4619 -2.5035 -2.5035 -1.4552 -0.1027 -0.0903 0.5999 1.4097 2.0999 0.5543 -0.2927 -0.5196 -0.328 -0.328 3.0173 3.6373 3.0173 2.0543 1.2073 0.9804 -3.6373 -3.6373 -1.1498 -2.8156 -2.8156 -1.9933 -1.7631 -0.9171 6 8 8 8 8 8 8 8 8 8 8 8 8 5 9 9 10 10 11 12 13 14 17 18 19 20 8 11 13 12 14 17 18 19 20 21 22 21 22 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 378 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B20004000000000000000000000000000000000003C6080000000000000B14000001E04000000000D0CC1D00632C783000408800024424000820800212A1008881C0E6C880C2662E4F19B84302866C019E8E8079050030000800002000001000100000400000200000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethyl-propan-1-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-3-(2-methoxy-10-phenothiazinyl)-N,N,2-trimethyl-1-propanamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2<I>R</I>)-3-(2-methoxyphenothiazin-10-yl)-<I>N</I>,<I>N</I>,2-trimethylpropan-1-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2R)-3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethyl-propan-1-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [(2R)-3-(2-methoxyphenothiazin-10-yl)-2-methyl-propyl]-dimethyl-amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VRQVVMDWGGWHTJ-CQSZACIVSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 328.16093457 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H24N2OS Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 328.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C[C@@H](CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 41 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 328.16093457 23 1 1 0 0 0 0 0 1 -1