2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-diphenylacetamide
基本情報
- CAS
5660-59-3- 標準SMILES
Cc1ccc(-n2c(SCC(=O)N(c3ccccc3)c3ccccc3)nc3sc4c(c3c2=O)CC(C)(C)SC4)cc1- InChIKey
DIQJKPGXHNQSMK-UHFFFAOYSA-N- 分子式
- C32H29N3O2S3
- 平均分子量
- 583.8 g/mol
- 単同位体質量
- 583.1421907
名称と識別子
- 優先名称
- 2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-diphenylacetamide
- IUPAC
- 2-[[12,12-dimethyl-4-(4-methylphenyl)-3-oxo-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N,N-diphenylacetamide
名称と別名
ZINC2587026STK5425135660-59-32-((6,6-dimethyl-4-oxo-3-(p-tolyl)-4,5,6,8-tetrahydro-3H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N,N-diphenylacetamideDTXSID10366442MFCD03298007AKOS005472067ZINC0000025870262((66dimethyl3(4methylphenyl)4oxo3568tetrahydro4Hthiopyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)NNdiphenylacetamide2((66dimethyl3(4methylphenyl)4oxo58dihydrothiopyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)NNdiphenylacetamide2((66dimethyl4oxo3(ptolyl)4568tetrahydro3Hthiopyrano(4345)thieno(23d)pyrimidin2yl)thio)NNdiphenylacetamide2-{[6,6-dimethyl-3-(4-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-diphenylacetamide
名称をさらに表示
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)SC6=C3CC(SC6)(C)C
物性
構造計算による物性
- XLogP
- 7.5
- 極性表面積
- 132 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
- 6
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 935
関連反応
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