2-[6-methyl-5-(4-methylpiperazine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[6-methyl-5-(4-methylpiperazine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[6-methyl-5-(4-methylpiperazine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C138-1116 |
| Compound Name: | 2-[6-methyl-5-(4-methylpiperazine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 529.56 |
| Molecular Formula: | C21 H22 F3 N5 O4 S2 |
| Smiles: | Cc1c(c2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C=Nc2s1)=O)S(N1CCN(C)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1459 |
| logD: | 2.0829 |
| logSw: | -3.0427 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.578 |
| InChI Key: | XSZBWFYWEDVJBF-UHFFFAOYSA-N |