2-{[4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
2-{[4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | E580-0177 |
| Compound Name: | 2-{[4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 507.55 |
| Molecular Formula: | C23 H20 F3 N3 O3 S2 |
| Smiles: | C1CSC2=C1N=C(N(CCc1ccccc1)C2=O)SCC(Nc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8046 |
| logD: | 4.8046 |
| logSw: | -4.7815 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.172 |
| InChI Key: | KBPWAJMJUGKZMW-UHFFFAOYSA-N |