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]-3,4,5-trimethoxybenzamide
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]-3,4,5-trimethoxybenzamide
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]-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | 8016-0447 |
| 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]-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 554.87 |
| Molecular Formula: | C23 H18 Cl F3 N4 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)C(NC1(C2=C(NC1=O)N(C(NC2=O)=O)c1ccc(cc1)[Cl])C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5124 |
| logD: | -0.0874 |
| logSw: | -3.6232 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.58 |
| InChI Key: | XQLSHABSFQRLSB-QFIPXVFZSA-N |