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]-4-methoxybenzamide
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]-4-methoxybenzamide
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]-4-methoxybenzamide
Compound characteristics
| Compound ID: | 8013-3180 |
| 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]-4-methoxybenzamide |
| Molecular Weight: | 494.81 |
| Molecular Formula: | C21 H14 Cl F3 N4 O5 |
| Smiles: | COc1ccc(cc1)C(NC1(C2=C(NC1=O)N(C(NC2=O)=O)c1ccc(cc1)[Cl])C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.714 |
| logD: | -1.1005 |
| logSw: | -3.6936 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.146 |
| InChI Key: | BHNFOTHVERHHOF-FQEVSTJZSA-N |