HIT ID: HIT214322400
Cas No: 1332391-04-4
分子式: C20H12F4N4O3S
分子量: 464.39
常用名: Apalutamide-COOH
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-{7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl}-2-fluorobenzoic acid
IUPAC: 4-{7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl}-2-fluorobenzoic acid
SMILES: OC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F
SMILES: OC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F
InChI key: ICXCBGDFYFFSGX-UHFFFAOYSA-N
