N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | E580-0176 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-oxo-3-(2-phenylethyl)-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 526 |
| Molecular Formula: | C23 H19 Cl F3 N3 O2 S2 |
| Smiles: | C1CSC2=C1N=C(N(CCc1ccccc1)C2=O)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8383 |
| logD: | 4.8184 |
| logSw: | -5.0866 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.538 |
| InChI Key: | NVNLPXHVDTWXON-UHFFFAOYSA-N |