N-{7-[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}-3-methylbutanamide
Chemical Structure Depiction of
N-{7-[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}-3-methylbutanamide
N-{7-[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}-3-methylbutanamide
Compound characteristics
| Compound ID: | 7591-0640 |
| Compound Name: | N-{7-[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}-3-methylbutanamide |
| Molecular Weight: | 498.46 |
| Molecular Formula: | C22 H25 F3 N4 O6 |
| Smiles: | CC(C)CC(NC1(C2=C(NC(NC2=O)=O)N(CCc2ccc(c(c2)OC)OC)C1=O)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.895 |
| logD: | -1.1966 |
| logSw: | -2.7962 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.639 |
| InChI Key: | SIEKGBMOXFHRTD-NRFANRHFSA-N |