3235919 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 16 8 8 8 8 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 2 3 3 4 5 6 6 6 7 7 8 8 9 9 9 10 13 13 14 14 15 15 16 17 18 18 19 19 19 20 20 21 21 23 23 24 24 25 26 26 26 27 27 27 12 19 11 22 26 17 22 7 11 12 17 29 10 12 10 11 13 14 15 28 16 30 16 31 32 18 20 21 22 33 34 23 35 24 36 25 37 25 38 39 27 40 41 42 43 44 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 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 6.3981 4.666 7.2641 7.2641 8.1301 5.5321 6.3981 4.666 3.8 3.8 4.666 5.5321 2.9061 2.9061 2 2 7.2641 8.1301 6.3981 8.9962 8.1301 7.2641 9.8622 8.9962 9.8622 8.1301 8.1301 2.9132 6.3981 2.9132 1.4643 1.4643 6.186 5.7875 8.9962 7.5932 10.3991 8.9962 10.3991 8.3422 8.7407 8.7501 8.1301 7.5101 -0.25 -3.25 2.25 -0.75 0.75 -1.75 -2.25 -0.25 -1.75 -0.75 -2.25 -0.75 -2.2847 -0.2153 -1.7708 -0.7292 -1.75 -2.25 0.75 -1.75 -3.25 1.25 -2.25 -3.75 -3.25 2.75 3.75 -2.9046 -2.87 0.4046 -2.0829 -0.4171 1.3326 0.6423 -1.13 -3.56 -1.94 -4.37 -3.56 2.1674 2.8577 3.75 4.37 3.75 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 8 8 9 9 9 10 13 14 15 18 18 20 21 23 24 11 12 10 12 10 11 13 14 15 16 16 20 21 23 24 25 25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 604 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B3800400000000000000000000000000000000000306080000000000000814000001E04180000000C08A5D802B3C882620408A80225D27C008210016402101BA8010064C808203A80DD9186218860800008C9C71888008E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl 2-(3-benzamido-4-oxo-quinazolin-2-yl)sulfanylacetate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(3-benzamido-4-oxo-2-quinazolinyl)thio]acetic acid ethyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl 2-(3-benzamido-4-oxoquinazolin-2-yl)sulfanylacetate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl 2-(3-benzamido-4-oxoquinazolin-2-yl)sulfanylacetate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ethyl 2-(3-benzamido-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(3-benzamido-4-keto-quinazolin-2-yl)thio]acetic acid ethyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H17N3O4S/c1-2-26-16(23)12-27-19-20-15-11-7-6-10-14(15)18(25)22(19)21-17(24)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,21,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GXHANYWIDKNDGN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 383.09397721 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H17N3O4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 383.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 113 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 383.09397721 27 0 0 0 0 0 0 0 1 -1