N-(5-{[1-butyl-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-butyl-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-butyl-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: | 8019-1601 |
| Compound Name: | N-(5-{[1-butyl-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: | 511.46 |
| Molecular Formula: | C15 H16 F3 N7 O6 S2 |
| Smiles: | CCCCN1C2=C(C(NC1=O)=O)C(C(N2)=O)(C(F)(F)F)NS(c1nnc(NC(C)=O)s1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3243 |
| logD: | -4.8744 |
| logSw: | -2.1338 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 154.604 |
| InChI Key: | FQWOLXBGBDRSPZ-AWEZNQCLSA-N |