Methyl 4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate
基本情報
- CAS
315239-22-6- 標準SMILES
C=CCn1c(SCc2ccc(C(=O)OC)cc2)nc2sc3c(c2c1=O)CCCC3- InChIKey
KHDDARNVCAIAPZ-UHFFFAOYSA-N- 分子式
- C22H22N2O3S2
- 平均分子量
- 426.6 g/mol
名称と識別子
- 優先名称
- Methyl 4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate
- IUPAC
- methyl 4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate
- 英語名
- methyl 4-(((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoate
- 分子式
- C22H22N2O3S2
- 分子量
- 426.55
名称と別名
315239-22-6methyl 4-(((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoatemethyl 4-({[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}methyl)benzoatemethyl 4-[(4-oxo-3-prop-2-enyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyr imidin-2-ylthio)methyl]benzoatemethyl 4-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoateOprea1_477303Oprea1_577768SBB083705STK837610AKOS000532091EU-0073000ST50032249
名称をさらに表示
Benzoic acid, 4-[[[3,4,5,6,7,8-hexahydro-4-oxo-3-(2-propen-1-yl)[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]methyl]-, methyl ester
AF-399/15128756SR-01000446386SR-01000446386-1F0844-0007methyl 4-({[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoatemethyl 4-{[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
データベース識別子
- CAS
315239-22-6
物性
構造計算による物性
- XLogP
- 5.1
- 極性表面積
- 113 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 7
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 675
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…