Methyl [3,5-bis(trifluoromethyl)benzyl][(4-cyano-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]carbamate (HCID 11613843)

基本情報

標準SMILES: COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C#N)ccc1-c1cc(C(C)C)ccc1OC
InChIKey: GAHHWDHNPJYTSC-UHFFFAOYSA-N
分子式: C29H26F6N2O3
平均分子量: 564.5 g/mol

名称と識別子

優先名称: Methyl [3,5-bis(trifluoromethyl)benzyl][(4-cyano-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]carbamate
IUPAC: methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[5-cyano-2-(2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]carbamate

名称と別名

CHEMBL1290759Methyl [3,5-bis(trifluoromethyl)benzyl][(4-cyano-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]carbamateSCHEMBL9886092BDBM50331762methyl 3,5-bis(trifluoromethyl)benzyl((4-cyano-5''-isopropyl-2''-methoxybiphenyl-2-yl)methyl)carbamate

データベース識別子

PubChem CID: 11613843
ChEMBL: CHEMBL1290759

物性

構造計算による物性

XLogP: 7.3
極性表面積: 62.6 Å²
水素結合供与体数: 0
水素結合受容体数: 10
回転可能結合数: 8
重原子数: 40
形式電荷: 0
複雑度: 863

化合物ノート

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