2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}-N-[3-(trifluoromethyl)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-(trifluoromethyl)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-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C210-0009 |
| 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-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 593.61 |
| Molecular Formula: | C24 H22 F3 N7 O4 S2 |
| Smiles: | Cc1c(c2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ncccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1277 |
| logD: | 3.1274 |
| logSw: | -3.4263 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.724 |
| InChI Key: | PSRVXWGXFLOMAP-UHFFFAOYSA-N |