DHODH-IN-19
HIT214434849
sdf文件结构编辑类似物检索
HIT ID: HIT214434849
Cas No: 2742675-85-8
分子式: C22H18ClF6N3O3
分子量: 521.84
常用名: DHODH-IN-19
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-{4-[2-(2-chloro-6-fluorophenyl)-1-fluoroethenyl]-2-fluoro-5-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl}-4-ethyl-3-(hydroxymethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
IUPAC: 1-{4-[2-(2-chloro-6-fluorophenyl)-1-fluoroethenyl]-2-fluoro-5-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl}-4-ethyl-3-(hydroxymethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES: CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(F)=Cc2c(F)cccc2Cl)c1=O
SMILES: CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(F)=Cc2c(F)cccc2Cl)c1=O
InChI key: VRGIITSIPNKYAT-NSHDSACASA-N
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