[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)imidazol-2-yl]methyl N-acetylcarbamate

HCID 478192

基本情報

標準SMILES: CC(=O)NC(=O)OCc1nc(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)n1Cc1ccncc1
InChIKey: BJQPWKSBURMHGP-UHFFFAOYSA-N
分子式: C22H22Cl2N4O3S
平均分子量: 493.4 g/mol

名称と識別子

優先名称: [5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)imidazol-2-yl]methyl N-acetylcarbamate
IUPAC: [5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]methyl N-acetylcarbamate

名称と別名

SCHEMBL6167205BJQPWKSBURMHGP-UHFFFAOYSA-N[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)imidazol-2-yl]methyl N-acetylcarbamate5-(3,5-Dichlorophenylthio)-4-isopropyl-1-(4-pyridylmethyl)-1H-imidazol-2-ylmethyl acetylcarbamate5-(3,5-Dichlorophenylthio)-4-isopropyl-1-(4-pyridylmethyl)-1H-imidazol-2-ylmethyl-acetylcarbamate

データベース識別子

PubChem CID: 478192

物性

構造計算による物性

XLogP: 4.7
極性表面積: 111 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 8
重原子数: 32
形式電荷: 0
複雑度: 628