HIT ID: HIT212715540
Cas No: 1333108-58-9
分子式: C25H26F3N5O4S
分子量: 549.57
常用名: CZ830
氢键受体数 (HBA): 7
氢键供体数 (HBD): 2
LogP: 3.6779785
IUPAC: 3-(2,2-difluoroethyl)-1-{4-[6-(5-fluoro-2-methanesulfonylphenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl}urea
IUPAC: 3-(2,2-difluoroethyl)-1-{4-[6-(5-fluoro-2-methanesulfonylphenyl)-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]phenyl}urea
SMILES: C[C@H]1COCCN1c1nc(cc(n1)-c1cc(F)ccc1S(C)(=O)=O)-c1ccc(NC(=O)NCC(F)F)cc1
SMILES: C[C@H]1COCCN1c1nc(cc(n1)-c1cc(F)ccc1S(C)(=O)=O)-c1ccc(NC(=O)NCC(F)F)cc1
InChI key: SKXDOVJWDKHFEB-HNNXBMFYSA-N