Benthiavalicarb isopropyl
HIT212687554
sdf文件结构编辑类似物检索
HIT ID: HIT212687554
Cas No: 177406-68-7
分子式: C18H24FN3O3S
分子量: 381.47
常用名: Benthiavalicarb isopropyl
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 3.5863698
IUPAC: propan-2-yl N-[(1S)-1-{[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]carbamoyl}-2-methylpropyl]carbamate
IUPAC: propan-2-yl N-[(1S)-1-{[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]carbamoyl}-2-methylpropyl]carbamate
SMILES: CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1
SMILES: CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1
InChI key: USRKFGIXLGKMKU-ABAIWWIYSA-N
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