56443902 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 49 50 16 9 9 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 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 4 4 5 6 7 7 7 8 8 8 9 9 10 10 10 11 12 12 12 13 13 14 15 15 16 16 17 18 20 20 22 23 23 24 24 25 26 26 26 28 28 29 29 30 30 31 31 32 33 19 22 33 33 14 33 21 27 19 21 40 13 27 41 11 19 11 14 20 22 15 16 21 17 18 23 17 34 18 35 36 37 24 38 39 25 42 25 43 44 27 28 29 30 45 31 46 32 47 32 48 49 50 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 2 2 2 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 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 45 46 47 48 49 50 3.7891 2.8833 4.4656 4.2846 2.866 2 4.5981 3.732 5.4071 5.6859 5.0981 3.732 3.732 5.2791 4.5981 2.866 4.5981 2.866 4.5981 6.6804 3.732 4.0981 5.8669 7.2682 6.8614 2.866 2.866 2 3.732 2 3.732 2.866 3.8779 5.135 2.3291 5.135 2.3291 6.9326 3.7336 5.135 4.269 5.6147 7.8848 7.2259 1.4631 4.269 1.4631 4.269 2.866 3.5134 2.5435 6.3398 7.0442 5.3217 0.9558 -3.5442 0.9558 -3.5442 2.5435 4.3036 3.4946 -0.5442 -2.5442 5.2172 -1.0442 -1.0442 -2.0442 -2.0442 1.9558 4.1991 0.4558 3.4946 6.0262 5.0081 5.9216 -5.0442 -4.0442 -5.5442 -5.5442 -6.5442 -6.5442 -7.0442 6.2352 -0.7342 -0.7342 -2.3542 -2.3542 3.6327 3.9962 0.6458 -3.8542 6.5926 4.9433 6.4232 -5.2342 -5.2342 -6.8542 -6.8542 -7.6642 5.7336 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 9 9 10 10 11 12 12 13 13 14 15 16 20 23 24 26 26 28 29 30 31 19 22 11 19 14 20 22 15 16 17 18 23 17 18 24 25 25 28 29 30 31 32 32 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 657 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B31804000000000000000000000000001600000003060C000000000000001D400001F04100000000C0C85DE12B1D792C81408AC032572740082F8A9652A39098835366CD88C26B2E4BD9B8431286ED513C8E9A798C9A09E08000000000800001000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-benzamido-N-[4-[2-(difluoromethoxy)phenyl]thiazol-2-yl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-benzamido-N-[4-[2-(difluoromethoxy)phenyl]-2-thiazolyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-benzamido-<I>N</I>-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-benzamido-N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-benzamido-N-[4-[2-[bis(fluoranyl)methoxy]phenyl]-1,3-thiazol-2-yl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-benzamido-N-[4-[2-(difluoromethoxy)phenyl]thiazol-2-yl]benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H17F2N3O3S/c25-23(26)32-20-9-5-4-8-18(20)19-14-33-24(28-19)29-22(31)16-10-12-17(13-11-16)27-21(30)15-6-2-1-3-7-15/h1-14,23H,(H,27,30)(H,28,29,31) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OOCJRRHFBDOVLL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 465.09586891 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H17F2N3O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 465.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4OC(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4OC(F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 109 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 465.09586891 33 0 0 0 0 0 0 0 1 -1