2,4-dichloro-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
2,4-dichloro-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
2,4-dichloro-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: | 8019-1032 |
| Compound Name: | 2,4-dichloro-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: | 587.34 |
| Molecular Formula: | C24 H19 Cl2 F3 N4 O6 |
| Smiles: | COc1ccc(CCN2C3=C(C(NC2=O)=O)C(C(N3)=O)(C(F)(F)F)NC(c2ccc(cc2[Cl])[Cl])=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4756 |
| logD: | -1.9097 |
| logSw: | -4.031 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.453 |
| InChI Key: | CMUGZLKGCMGJMZ-QHCPKHFHSA-N |