N-[1-(4-chlorophenyl)-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
N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
N-[1-(4-chlorophenyl)-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: | 7591-0312 |
| Compound Name: | N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide |
| Molecular Weight: | 464.79 |
| Molecular Formula: | C20 H12 Cl F3 N4 O4 |
| Smiles: | c1ccc(cc1)C(NC1(C2=C(NC1=O)N(C(NC2=O)=O)c1ccc(cc1)[Cl])C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6265 |
| logD: | -1.4919 |
| logSw: | -3.59 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.602 |
| InChI Key: | ZBFHUPLBNQMLES-IBGZPJMESA-N |