MMs02943764
HIT104797249
sdf文件结构编辑类似物检索
HIT ID: HIT104797249
Cas No: 708287-29-0
分子式: C24H25BrF2N4O2S
分子量: 551.45
常用名: MMs02943764
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 5.67
IUPAC: N-(2-bromo-4,6-difluorophenyl)-2-[(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
IUPAC: N-(2-bromo-4,6-difluorophenyl)-2-[(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES: CC(C)c1ccc(C)cc1OCc1nnc(SCC(=O)Nc2c(F)cc(F)cc2Br)n1CC=C
SMILES: CC(C)c1ccc(C)cc1OCc1nnc(SCC(=O)Nc2c(F)cc(F)cc2Br)n1CC=C
InChI key: QIFKFQIGXQVYNM-UHFFFAOYSA-N
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Princeton BioMolecal Research
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