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}propanamide
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}propanamide
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}propanamide
Compound characteristics
| Compound ID: | 8013-1317 |
| 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}propanamide |
| Molecular Weight: | 498.46 |
| Molecular Formula: | C22 H25 F3 N4 O6 |
| Smiles: | CCC(NC1(C2=C(NC1=O)N(CCc1ccc(c(c1)OCC)OCC)C(NC2=O)=O)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6426 |
| logD: | -0.3593 |
| logSw: | -2.4147 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.671 |
| InChI Key: | RYURQAPMUWNHHE-NRFANRHFSA-N |