N-(5-{[1-(2-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
N-(5-{[1-(2-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}-1,3,4-thiadiazol-2-yl)acetamide
N-(5-{[1-(2-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 8602-0068 |
| Compound Name: | N-(5-{[1-(2-methylphenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]sulfamoyl}-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 545.47 |
| Molecular Formula: | C18 H14 F3 N7 O6 S2 |
| Smiles: | CC(Nc1nnc(s1)S(NC1(C2=C(NC1=O)N(C(NC2=O)=O)c1ccccc1C)C(F)(F)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5437 |
| logD: | -5.3902 |
| logSw: | -2.3644 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 153.441 |
| InChI Key: | HZWKKXCLDSAMFH-KRWDZBQOSA-N |