7-ethyl-2-(5-{[3-(trifluoromethyl)phenoxy]methyl}furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-ethyl-2-(5-{[3-(trifluoromethyl)phenoxy]methyl}furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
7-ethyl-2-(5-{[3-(trifluoromethyl)phenoxy]methyl}furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 6049-0124 |
| Compound Name: | 7-ethyl-2-(5-{[3-(trifluoromethyl)phenoxy]methyl}furan-2-yl)-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 477.5 |
| Molecular Formula: | C23 H22 F3 N3 O3 S |
| Smiles: | CCN1CCc2c3C(NC(c4ccc(COc5cccc(c5)C(F)(F)F)o4)Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2621 |
| logD: | 3.1864 |
| logSw: | -4.4089 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.739 |
| InChI Key: | IJRYCIXFVOIROC-HXUWFJFHSA-N |