基本情報
- 標準SMILES
COC(=O)CC1CCC(CN2CCCC(N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3cc(C)no3)c3cc(C)c(C(F)(F)F)cc32)CC1- InChIKey
SZESGYMIZWMYDX-UHFFFAOYSA-N- 分子式
- C35H38F9N3O3
- 平均分子量
- 719.7 g/mol
- 単同位体質量
- 719.27694554
名称と識別子
- 優先名称
- (4-(5-[(3,5-Bis-trifluoromethyl-benzyl)-(3-methyl-isoxazol-5-yl)-amino]-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-ylmethyl}-cyclohexyl)-acetic acid methyl ester
- IUPAC
- methyl 2-[4-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(3-methyl-1,2-oxazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]acetate
名称と別名
(4-(5-[(3,5-bis-trifluoromethyl-benzyl)-(3-methyl-isoxazol-5-yl)-amino]-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-ylmethyl}-cyclohexyl)-acetic acid methyl ester(4-{5-[(3,5-Bis-trifluoromethyl-benzyl)-(3-methyl-isoxazol-5-yl)-amino]-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-ylmethyl}-cyclohexyl)-acetic acid methyl esterSCHEMBL1382498
データベース識別子
- PubChem CID
- 11664840
物性
構造計算による物性
- XLogP
- 9.8
- 極性表面積
- 58.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 15
- 回転可能結合数
- 9
- 重原子数
- 50
- 形式電荷
- 0
- 複雑度
- 1,090
関連反応
3 件
化合物ノート
読み込み中…