2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C066-2402 |
| Compound Name: | 2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 571.7 |
| Molecular Formula: | C24 H25 N7 O4 S3 |
| Smiles: | Cc1c(c2C(N(CC(Nc3cccc(c3)SC)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ncccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5454 |
| logD: | 2.5454 |
| logSw: | -3.0223 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.724 |
| InChI Key: | XNTJMAKPTDXARB-UHFFFAOYSA-N |