基本情報
- 標準SMILES
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)Nc4cccc(C(F)(F)F)c4)CC3)nc21- InChIKey
USYVBPXJSBDUTJ-UHFFFAOYSA-N- 分子式
- C22H21F3N6O3S
- 平均分子量
- 506.5 g/mol
名称と識別子
- 優先名称
- 8-Ethyl-5-oxo-2-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
- IUPAC
- 8-ethyl-5-oxo-2-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid
名称と別名
ML328634175-34-18-ethyl-5-oxo-2-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acidCHEMBL585744CID-15178232-(4-{[(3-Trifluoromethylphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic Acid8-ethyl-5-oxo-2-(4-((3-(trifluoromethyl)phenyl)carbamothioyl)piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid8-ethyl-5-oxo-2-(4-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acidSR-030000023378-ethyl-5-oxo-2-(4-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acidMLS004713614orb1297954
名称をさらに表示
SCHEMBL1822082GLXC-03731EX-A6178BDBM50300212STK333894AKOS004105189DA-75620SMR003484266
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 134 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 11
- 回転可能結合数
- 4
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 864
関連反応
1 件
化合物ノート
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