BVT-116429
HIT212689378
sdf文件结构编辑类似物检索
HIT ID: HIT212689378
Cas No: 870710-02-4
分子式: C13H12F4N2OS
分子量: 320.31
常用名: BVT-116429
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 3.5011384
IUPAC: (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-4-one
IUPAC: (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-4-one
SMILES: C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F)F)c1ccccc1F |t:3|
SMILES: C[C@H](NC1=NC(=O)[C@](C)(S1)C(F)(F)F)c1ccccc1F |t:3|
InChI key: KNHNFKZUNFPPQE-MADCSZMMSA-N
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