基本情報
- 標準SMILES
CCOC(=O)C1CCc2c(sc3ncnc(Cl)c23)C1- InChIKey
YFZWICASFZMXGG-UHFFFAOYSA-N- 分子式
- C13H13ClN2O2S
- 平均分子量
- 296.77 g/mol
名称と識別子
- 優先名称
- Ethyl 4-chloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-7-carboxylate
- IUPAC
- ethyl 4-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylate
名称と別名
835632-31-0ethyl 4-chloro-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine-7-carboxylateMFCD30294664ethyl 4-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylate4-CHLORO-5,6,7,8-TETRAHYDRO-[1]BENZOTHIENO[2,3-D]PYRIMIDINE-7-CARBOXYLIC ACID ETHYL ESTERethyl 3-chloro-8-thia-4,6-diazatricyclo[7.4.0.0(2),?]trideca-1(9),2,4,6-tetraene-11-carboxylateSCHEMBL5629554SCHEMBL15933742YFZWICASFZMXGG-UHFFFAOYSA-NWS-01446CS-0455991E74061
名称をさらに表示
F776203(RS)-ethyl 4-chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-7-carboxylateethyl 4-chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-7-carboxylateethyl 4-chloro-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-7-carboxylate[1]Benzothieno[2,3-d]pyrimidine-7-carboxylic acid, 4-chloro-5,6,7,8-tetrahydro-, ethyl ester4-CHLORO-5,6,7,8-TETRAHYDRO-[1]BENZOTHIENO[2,3-D]PYRIMIDINE-7-CARBOXYLICACIDETHYLESTER4-chloro-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine-7-carboxylic acid ethyl esterethyl 3-chloro-8-thia-4,6-diazatricyclo[7.4.0.0(2),]trideca-1(9),2,4,6-tetraene-11-carboxylate
データベース識別子
- PubChem CID
- 17990004
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 80.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 3
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 358
関連反応
3 件
化合物ノート
読み込み中…