HIT ID: HIT104522869
Cas No: 868364-57-2
分子式: C22H28BrClN2O4S
分子量: 531.89
常用名: Umifenovir hydrochloride monohydrate
常用名: Umifenovir hydrochloride monohydrate
氢键受体数 (HBA): 4
氢键供体数 (HBD): 3
LogP: 3.72
IUPAC: ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate hydrate hydrochloride
IUPAC: ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate hydrate hydrochloride
SMILES: O.Cl.CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12
SMILES: O.Cl.CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12
InChI key: PLWQHPWNKPKQJT-UHFFFAOYSA-N
