3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide
Chemical Structure Depiction of
3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide
3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide
Compound characteristics
| Compound ID: | F145-0203 |
| Compound Name: | 3-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide |
| Molecular Weight: | 465.49 |
| Molecular Formula: | C22 H22 F3 N3 O3 S |
| Smiles: | C1CCc2c(C1)c1C(NC(CCC(NCCOc3cccc(c3)C(F)(F)F)=O)=Nc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9624 |
| logD: | 3.9618 |
| logSw: | -4.4374 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.454 |
| InChI Key: | NRMYSGRKWCGUKS-UHFFFAOYSA-N |