HIT ID: HIT212658562
Cas No: 954126-98-8
分子式: C19H21ClFN3O4S
分子量: 441.9
常用名: Danirixin
氢键受体数 (HBA): 5
氢键供体数 (HBD): 4
LogP: 3.0106685
IUPAC: 1-{4-chloro-2-hydroxy-3-[(3S)-piperidine-3-sulfonyl]phenyl}-3-(3-fluoro-2-methylphenyl)urea
IUPAC: 1-{4-chloro-2-hydroxy-3-[(3S)-piperidine-3-sulfonyl]phenyl}-3-(3-fluoro-2-methylphenyl)urea
SMILES: Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@H]1CCCNC1
SMILES: Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(c1O)S(=O)(=O)[C@H]1CCCNC1
InChI key: NGYNBSHYFOFVLS-LBPRGKRZSA-N