4-chloro-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}benzamide
Chemical Structure Depiction of
4-chloro-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}benzamide
4-chloro-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}benzamide
Compound characteristics
| Compound ID: | 7591-0470 |
| Compound Name: | 4-chloro-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}benzamide |
| Molecular Weight: | 552.89 |
| Molecular Formula: | C24 H20 Cl F3 N4 O6 |
| Smiles: | COc1ccc(CCN2C3=C(C(NC2=O)=O)C(C(N3)=O)(C(F)(F)F)NC(c2ccc(cc2)[Cl])=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8949 |
| logD: | -1.551 |
| logSw: | -3.6838 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.453 |
| InChI Key: | XUEJLMHUAJFCOG-QHCPKHFHSA-N |