Isopropyl (2Z)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate
基本情報
- CAS
618078-14-1- 標準SMILES
CCN1C(=O)/C(=c2\sc3n(c2=O)C(c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)c2ccccc21- InChIKey
ISOMIDGKEFBVDA-VZCXRCSSSA-N- 分子式
- C25H23N3O4S2
- 平均分子量
- 493.6 g/mol
- 単同位体質量
- 493.11299857
名称と識別子
- 優先名称
- Isopropyl (2Z)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate
- IUPAC
- propan-2-yl (2Z)-2-(1-ethyl-2-oxoindol-3-ylidene)-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
名称と別名
618078-14-1isopropyl (2Z)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateIsopropyl (2Z)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylateRefChem:792117645-442-0Isopropyl 2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylateSTK814156AKOS002194078AKOS016070904Z57783950(Z)-isopropyl 2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylateIsopropyl2-(1-ethyl-2-oxoindolin-3-ylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
名称をさらに表示
propan-2-yl (2Z)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
物性
構造計算による物性
- XLogP
- 3.9
- 極性表面積
- 133 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 7
- 回転可能結合数
- 5
- 重原子数
- 34
- 形式電荷
- 0
- 複雑度
- 1,020
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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…