56588636 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 16 8 8 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 2 2 5 5 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 13 13 14 14 15 16 17 17 18 18 19 19 20 20 21 21 22 23 23 24 24 26 26 26 3 4 6 15 15 22 25 26 8 11 12 14 9 27 28 10 29 30 12 31 32 12 13 16 33 16 17 18 34 19 20 21 35 23 36 24 37 22 38 39 25 40 25 41 42 43 44 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 1 2 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 8.0785 8.8691 9.0785 7.0786 2 8.0901 6.3301 8.9962 8.9962 8.0901 7.1962 7.1962 6.3301 5.4641 8.067 5.4641 4.5981 7.2512 4.5981 3.732 7.5492 8.5491 3.732 2.866 2.866 2 9.2052 9.607 9.607 9.2052 8.4837 7.6855 6.3301 4.9272 6.6638 5.135 3.732 7.179 8.9077 3.732 2.3291 2.62 2 1.38 -1.4951 -3.0921 -1.5066 -1.4835 3.0395 -0.4951 1.5395 0.0187 1.0603 1.5742 0.0395 1.0395 -0.4605 1.0395 -2.495 0.0395 1.5395 -3.0734 2.5395 1.0395 -4.028 -4.0395 3.0395 1.5395 2.5395 4.0395 -0.565 0.1248 0.9542 1.644 2.0532 2.044 -1.0805 -0.2705 -2.875 2.8495 0.4195 -4.5253 -4.5453 3.6595 1.2295 4.0395 4.6595 4.0395 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 7 7 11 11 13 14 15 17 17 18 19 20 21 23 24 15 22 12 14 12 13 16 16 18 19 20 21 23 24 22 25 25 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 572 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30006000000000000000000000000001200000003C5880000000000000B1F000001E04004000000C0CC5DE06B2C79208140AA40324624470C389B0213A304898383E7C980C66E2E4B19B94302864C011E8E80790D0E30E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-methoxyphenyl)-1-(2-thienylsulfonyl)-3,4-dihydro-2H-1,5-naphthyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-methoxyphenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-methoxyphenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2<I>H</I>-1,5-naphthyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-methoxyphenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-methoxyphenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-methoxyphenyl)-1-(2-thienylsulfonyl)-3,4-dihydro-2H-1,5-naphthyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H18N2O3S2/c1-24-15-8-6-14(7-9-15)16-10-11-18-17(20-16)4-2-12-21(18)26(22,23)19-5-3-13-25-19/h3,5-11,13H,2,4,12H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZTJWKACXTJRXAQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.07588479 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H18N2O3S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)C2=NC3=C(C=C2)N(CCC3)S(=O)(=O)C4=CC=CS4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)C2=NC3=C(C=C2)N(CCC3)S(=O)(=O)C4=CC=CS4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 96.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.07588479 26 0 0 0 0 0 0 0 1 -1