3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide
3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | C200-8439 |
| Compound Name: | 3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-{[4-(trifluoromethyl)phenyl]methyl}propanamide |
| Molecular Weight: | 435.47 |
| Molecular Formula: | C21 H20 F3 N3 O2 S |
| Smiles: | C1CCc2c(C1)c1C(NC(CCC(NCc3ccc(cc3)C(F)(F)F)=O)=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7786 |
| logD: | 3.778 |
| logSw: | -4.4932 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.195 |
| InChI Key: | ORHVNWYPRVSNGS-UHFFFAOYSA-N |