55677494 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 48 8 8 8 7 7 7 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 2 2 3 4 4 4 5 5 5 6 7 8 9 9 9 10 10 11 11 12 12 13 14 15 16 16 16 18 19 19 20 20 20 21 21 22 22 23 23 23 24 24 24 25 25 26 26 27 14 20 13 24 17 10 17 32 6 7 16 18 8 18 10 11 12 28 29 13 30 15 31 14 15 33 17 34 35 19 21 22 23 36 37 25 38 26 39 40 41 42 43 44 45 27 46 27 47 48 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 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 48 3.732 5.4641 8.9282 7.1962 8.9282 9.0327 9.8418 10.5109 6.3301 7.1962 6.3301 5.4641 5.4641 4.5981 4.5981 8.0622 8.0622 10.0109 10.4176 2.866 9.8298 11.4121 2 6.3301 10.2366 11.8189 11.2311 7.8067 7.4082 6.8671 5.4641 6.6592 4.0611 7.4516 7.8501 2.4675 3.2646 9.2132 11.7766 2.31 1.4631 1.69 6.6401 6.8671 6.0201 9.8721 12.4355 11.4833 3.7215 4.7215 0.7215 0.7215 -1.2785 -2.273 -0.8717 -1.6149 2.2215 1.7215 3.2215 1.7215 3.7215 3.2215 2.2215 -0.7785 0.2215 -2.4809 -3.3944 3.2215 -4.2035 -3.499 3.7215 5.2215 -5.117 -4.4125 -5.2215 1.6139 2.3041 3.5315 1.1015 0.4115 1.9115 -0.6708 -1.3611 2.7466 2.7466 -4.1386 -2.9974 4.2585 4.0315 3.1846 4.6846 5.5315 5.7585 -5.6186 -4.4773 -5.7879 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 7 8 9 9 11 12 13 14 19 19 21 22 25 26 6 7 18 8 18 11 12 13 15 14 15 21 22 25 26 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 461 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB00000000000000000000000000000016000000030600000000000000001D000001E00180000000C04E19B06331686C00400AA022372300092080220A0001C88A0AE8C980D66A284B11B96382AE4DE118AA807B0D0120E20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-phenyl-2-tetrazolyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(4-ethoxy-3-methoxy-benzyl)-2-(5-phenyltetrazol-2-yl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H21N5O3/c1-3-27-16-10-9-14(11-17(16)26-2)12-20-18(25)13-24-22-19(21-23-24)15-7-5-4-6-8-15/h4-11H,3,12-13H2,1-2H3,(H,20,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WENMEOLQHGODAH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 367.16443955 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H21N5O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 367.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=C(C=C(C=C1)CNC(=O)CN2N=C(N=N2)C3=CC=CC=C3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=C(C=C(C=C1)CNC(=O)CN2N=C(N=N2)C3=CC=CC=C3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 91.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 367.16443955 27 0 0 0 0 0 0 0 1 -1