5-n-Butyl-4-[[2'-(N-t-butylsulfamoyl)biphenyl-4-yl]methyl]-2,4-dihydro-2-[5-nitro-2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one

HCID 10394261

基本情報

標準SMILES
CCCCc1nn(-c2cc([N+](=O)[O-])ccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1
InChIKey
LHMOMUBCJLOWIR-UHFFFAOYSA-N
分子式
C30H32F3N5O5S
平均分子量
631.7 g/mol

名称と識別子

優先名称
5-n-Butyl-4-[[2'-(N-t-butylsulfamoyl)biphenyl-4-yl]methyl]-2,4-dihydro-2-[5-nitro-2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one
IUPAC
N-tert-butyl-2-[4-[[3-butyl-1-[5-nitro-2-(trifluoromethyl)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide

名称と別名

5-n-Butyl-4-[[2'-(N-t-butylsulfamoyl)biphenyl-4-yl]methyl]-2,4-dihydro-2-[5-nitro-2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-oneSCHEMBL91428825-n-butyl-4-[[2'-(N-t-butylsulfamoyl)-biphenyl-4-yl]methyl]-2,4-dihydro-2-[5-nitro-2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one5-n-butyl-4-[[2'-(N-t-butylsulfamoyl)biphenyl-4-yl]methyl]-2,4-dihydro-2-[5-nitro-2-(trifluoromethyl)phenyl] -3H-1,2,4-triazol-3-one

データベース識別子

PubChem CID
10394261

物性

構造計算による物性

XLogP
6.3
極性表面積
136 Ų
水素結合供与体数
1
水素結合受容体数
10
回転可能結合数
10
重原子数
44

関連反応

4 件

化合物ノート

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