基本情報
- 標準SMILES
CCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc1)C(C(=O)OC)N(C(=O)CC(=O)OCC)CC2- InChIKey
OFPVXCXWCAVAOY-UHFFFAOYSA-N- 分子式
- C50H49N7O5
- 平均分子量
- 828 g/mol
名称と識別子
- 優先名称
- methyl (+)-2-n-butyl-5-ethoxycarbonylacetyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate
- IUPAC
- methyl 2-butyl-5-(3-ethoxy-3-oxopropanoyl)-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxylate
名称と別名
methyl (+)-2-n-butyl-5-ethoxycarbonylacetyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylatemethyl (+)-2-n-butyl-5-ethoxycarbonylacetyl-3-{2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl}methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylateSCHEMBL9043688OFPVXCXWCAVAOY-UHFFFAOYSA-Nmethyl 2-n-butyl-5-ethoxycarbonylacetyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate
データベース識別子
- PubChem CID
- 20076811
物性
構造計算による物性
- XLogP
- 9
- 極性表面積
- 134 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 9
- 回転可能結合数
- 17
- 重原子数
- 62
- 形式電荷
- 0
- 複雑度
- 1,400
関連反応
5 件
化合物ノート
読み込み中…