N-{1-[2-(3,4-diethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}-3-fluorobenzamide
Chemical Structure Depiction of
N-{1-[2-(3,4-diethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}-3-fluorobenzamide
N-{1-[2-(3,4-diethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}-3-fluorobenzamide
Compound characteristics
| Compound ID: | 8013-1461 |
| Compound Name: | N-{1-[2-(3,4-diethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}-3-fluorobenzamide |
| Molecular Weight: | 564.49 |
| Molecular Formula: | C26 H24 F4 N4 O6 |
| Smiles: | CCOc1ccc(CCN2C3=C(C(NC2=O)=O)C(C(N3)=O)(C(F)(F)F)NC(c2cccc(c2)F)=O)cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9141 |
| logD: | -1.4907 |
| logSw: | -3.3254 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.612 |
| InChI Key: | XPDZWLUDUSRJOL-VWLOTQADSA-N |