2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C096-0012 |
| Compound Name: | 2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 621.66 |
| Molecular Formula: | C27 H26 F3 N5 O5 S2 |
| Smiles: | Cc1c(c2C(N(CC(Nc3cccc(c3)C(F)(F)F)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ccccc1OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9638 |
| logD: | 3.9635 |
| logSw: | -4.268 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.691 |
| InChI Key: | PRIQPFMVRTZEOE-UHFFFAOYSA-N |