HIT ID: HIT212671935
Cas No: 1134822-07-3
分子式: C24H30N2O4
分子量: 410.514
常用名: Ivacaftor hydrate
氢键受体数 (HBA): 4
氢键供体数 (HBD): 3
LogP: 5.7580223
IUPAC: N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide hydrate
IUPAC: N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide hydrate
SMILES: O.CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C
SMILES: O.CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C
InChI key: MYELKYHBCRDZNH-UHFFFAOYSA-N