HIT ID: HIT106793707
Cas No: 684238-05-9
分子式: C28H23FN4O2S
分子量: 498.58
常用名: STOCK3S-30866
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 4.483000000000001e+000
IUPAC: 2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide
IUPAC: 2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(9-ethyl-9H-carbazol-3-yl)acetamide
SMILES: CCn1c2ccccc2c2cc(NC(=O)CSC3=C(C#N)C(CC(=O)N3)c3ccccc3F)ccc12 |c:18|
SMILES: CCn1c2ccccc2c2cc(NC(=O)CSC3=C(C#N)C(CC(=O)N3)c3ccccc3F)ccc12 |c:18|
InChI key: VGFPKMRXUBHBLZ-UHFFFAOYSA-N
