3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide
Chemical Structure Depiction of
3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide
3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide
Compound characteristics
| Compound ID: | F145-0553 |
| Compound Name: | 3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)-N-{2-[3-(trifluoromethyl)phenoxy]ethyl}propanamide |
| Molecular Weight: | 479.52 |
| Molecular Formula: | C23 H24 F3 N3 O3 S |
| Smiles: | C1CCc2c3C(NC(CCC(NCCOc4cccc(c4)C(F)(F)F)=O)=Nc3sc2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4583 |
| logD: | 4.4577 |
| logSw: | -4.4162 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.785 |
| InChI Key: | YGUSEKFSKIGAFH-UHFFFAOYSA-N |