HIT ID: HIT212670693
Cas No: 1508256-20-9
分子式: C26H31ClN6O2
分子量: 495.02
常用名: Nazartinib S-enantiomer
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 3.5036328
IUPAC: N-{7-chloro-1-[(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]-1H-1,3-benzodiazol-2-yl}-2-methylpyridine-4-carboxamide
IUPAC: N-{7-chloro-1-[(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]azepan-3-yl]-1H-1,3-benzodiazol-2-yl}-2-methylpyridine-4-carboxamide
SMILES: CN(C)C\C=C\C(=O)N1CCCC[C@@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
SMILES: CN(C)C\C=C\C(=O)N1CCCC[C@@H](C1)n1c(NC(=O)c2ccnc(C)c2)nc2cccc(Cl)c12
InChI key: IOMMMLWIABWRKL-OEMHODTASA-N
