2817011 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 16 8 8 8 7 7 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 2 2 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 10 11 11 11 13 13 15 16 18 18 18 19 19 19 20 20 21 21 22 22 23 12 16 15 17 14 17 7 10 11 12 14 30 14 24 25 9 13 16 12 17 18 26 27 19 28 29 15 20 21 31 32 33 34 35 36 37 22 38 23 39 23 40 41 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 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 5.6411 8.903 4.2677 8.0369 3.6464 5.914 4.6249 7.1709 7.1709 3.3357 2.9785 6.2247 8.0369 4.9355 8.903 6.2247 8.0369 2.3572 2 8.0209 9.813 8.9189 9.821 4.6454 5.2387 3.3562 3.9495 3.5049 2.7472 6.3281 6.0321 2.2293 1.7505 2.485 1.8721 1.3933 2.1279 7.4804 10.3463 8.9165 10.3591 0.8528 0.3528 -0.3643 -1.1472 -2.2654 -0.9024 -2.0591 1.3528 0.3528 -3.2159 -1.5211 0.0481 1.8528 -1.1086 1.3528 1.6576 -0.1472 -3.4221 -1.7273 2.8944 1.8597 3.4221 2.9013 -2.6788 -2.1465 -3.8356 -3.3032 -1.1934 -0.9458 -1.3639 2.2469 -2.8154 -3.55 -4.0288 -1.1206 -1.8551 -2.334 3.1981 1.5435 4.0421 3.2092 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 8 8 8 9 9 13 13 15 20 21 22 12 16 15 17 9 13 16 12 17 15 20 21 22 23 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 455 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B300040000000000000000000000000012000000034400000000000004891C000001E04100000000C04C5D804B28F83C004088C0221D258008308806528190888118E4CC80C663AE4B5BB963BA8E6D411E8E94798DCE2CE80000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diethylamino)-N-(4-oxo-3-thieno[3,4-c][1]benzopyranyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diethylamino)-<I>N</I>-(4-oxothieno[3,4-c]chromen-3-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diethylamino)-N-(4-oxothieno[3,4-c]chromen-3-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diethylamino)-N-(4-oxidanylidenethieno[3,4-c]chromen-3-yl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(diethylamino)-N-(4-ketothieno[3,4-c]chromen-3-yl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H18N2O3S/c1-3-19(4-2)9-14(20)18-16-15-12(10-23-16)11-7-5-6-8-13(11)22-17(15)21/h5-8,10H,3-4,9H2,1-2H3,(H,18,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WHJOKSDRDMWNHE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 330.10381361 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H18N2O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 330.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)CC(=O)NC1=C2C(=CS1)C3=CC=CC=C3OC2=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)CC(=O)NC1=C2C(=CS1)C3=CC=CC=C3OC2=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 86.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 330.10381361 23 0 0 0 0 0 0 0 1 7