N-(4-{[1-(3,4-dimethylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{[1-(3,4-dimethylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}phenyl)acetamide
N-(4-{[1-(3,4-dimethylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}phenyl)acetamide
Compound characteristics
| Compound ID: | 8602-0013 |
| Compound Name: | N-(4-{[1-(3,4-dimethylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}phenyl)acetamide |
| Molecular Weight: | 551.5 |
| Molecular Formula: | C23 H20 F3 N5 O6 S |
| Smiles: | CC(Nc1ccc(cc1)S(NC1(C2=C(NC1=O)N(C(NC2=O)=O)c1ccc(C)c(C)c1)C(F)(F)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.31 |
| logD: | -2.0194 |
| logSw: | -3.0419 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 130.422 |
| InChI Key: | JIBUTEYDQPLIEH-QFIPXVFZSA-N |