MS438
HIT100776942
sdf文件结构编辑类似物检索
HIT ID: HIT100776942
Cas No: 512840-45-8
分子式: C20H17F3N2O3
分子量: 390.362
常用名: MS438
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 3.4917
IUPAC: benzyl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
IUPAC: benzyl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
SMILES: CC1=C(C(NC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)OCc1ccccc1 |t:1|
SMILES: CC1=C(C(NC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)OCc1ccccc1 |t:1|
InChI key: CRJLZKUONIFOEQ-UHFFFAOYSA-N
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