N-{1-[2-(3,4-dimethoxyphenyl)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-dimethoxyphenyl)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-dimethoxyphenyl)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: | 8015-1417 |
| Compound Name: | N-{1-[2-(3,4-dimethoxyphenyl)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: | 470.4 |
| Molecular Formula: | C20 H21 F3 N4 O6 |
| Smiles: | CCC(NC1(C2=C(NC1=O)N(CCc1ccc(c(c1)OC)OC)C(NC2=O)=O)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1513 |
| logD: | -0.8505 |
| logSw: | -2.2965 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.511 |
| InChI Key: | DEVKQXFULQVJCI-IBGZPJMESA-N |