HIT ID: HIT212714883
Cas No: 433937-93-0
分子式: C22H23ClF2N4O5
分子量: 496.9
常用名: Atecegatran metoxil
氢键受体数 (HBA): 7
氢键供体数 (HBD): 4
LogP: 1.9890386
IUPAC: (2S)-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]-N-{[4-(N-methoxycarbamimidoyl)phenyl]methyl}azetidine-2-carboxamide
IUPAC: (2S)-1-[(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetyl]-N-{[4-(N-methoxycarbamimidoyl)phenyl]methyl}azetidine-2-carboxamide
SMILES: CONC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](O)c2cc(Cl)cc(OC(F)F)c2)cc1
SMILES: CONC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](O)c2cc(Cl)cc(OC(F)F)c2)cc1
InChI key: XSNMGLZVFNDDPW-ZWKOTPCHSA-N
