HIT ID: HIT212713983
Cas No: 255049-08-2
分子式: C35H35Cl2N3O2S
分子量: 632.64
常用名: ZD6021
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 6.424248
IUPAC: 3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-(4-{2-[(S)-methanesulfinyl]phenyl}piperidin-1-yl)butyl]-N-methylnaphthalene-1-carboxamide
IUPAC: 3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-(4-{2-[(S)-methanesulfinyl]phenyl}piperidin-1-yl)butyl]-N-methylnaphthalene-1-carboxamide
SMILES: CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
SMILES: CN(C[C@@H](CCN1CCC(CC1)c1ccccc1[S@](C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
InChI key: SJHZTGDJTIZMSK-WHHSOSIJSA-N
