Ethyl (2E)-7-methyl-3-oxo-5-phenyl-2-((5-(3-(trifluoromethyl)phenyl)-2-furyl)M ethylene)-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate
基本情報
- CAS
306309-33-1- 標準SMILES
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)c(=O)n2C1c1ccccc1- InChIKey
KXISGKKKSXRMGT-PXLXIMEGSA-N- 分子式
- C28H21F3N2O4S
- 平均分子量
- 538.5 g/mol
- 単同位体質量
- 538.11741282
名称と識別子
- 優先名称
- Ethyl (2E)-7-methyl-3-oxo-5-phenyl-2-((5-(3-(trifluoromethyl)phenyl)-2-furyl)M ethylene)-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylate
- IUPAC
- ethyl (2E)-7-methyl-3-oxo-5-phenyl-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
名称と別名
306309-33-1Ethyl (2E)-7-methyl-3-oxo-5-phenyl-2-((5-(3-(trifluoromethyl)phenyl)-2-furyl)M ethylene)-2,3-dihydro-5H-(1,3)thiazolo(3,2-A)pyrimidine-6-carboxylateETHYL (2E)-7-METHYL-3-OXO-5-PHENYL-2-({5-[3-(TRIFLUOROMETHYL)PHENYL]-2-FURYL}M ETHYLENE)-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATERefChem:592992651-610-4ethyl (2E)-7-methyl-3-oxo-5-phenyl-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateEthyl 7-methyl-3-oxo-5-phenyl-2-((5-(3-(trifluoromethyl)phenyl)furan-2-yl)methylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylateethyl 7-methyl-3-oxo-5-phenyl-2-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateKXISGKKKSXRMGT-PXLXIMEGSA-NSCHEMBL12290302AKOS003222730AG-690/12890547
名称をさらに表示
(E)-ethyl 7-methyl-3-oxo-5-phenyl-2-((5-(3-(trifluoromethyl)phenyl)furan-2-yl)methylene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylateETHYL (2E)-7-METHYL-3-OXO-5-PHENYL-2-({5-[3-(TRIFLUOROMETHYL)PHENYL]-2-FURYL}METHYLENE)-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
- 6.1
- 極性表面積
- 97.4 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 9
- 回転可能結合数
- 6
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 1,030
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。
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