N-(5-{[1,3-dimethyl-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-{[1,3-dimethyl-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-{[1,3-dimethyl-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: | 8016-6349 |
| Compound Name: | N-(5-{[1,3-dimethyl-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: | 483.4 |
| Molecular Formula: | C13 H12 F3 N7 O6 S2 |
| Smiles: | CC(Nc1nnc(s1)S(NC1(C2=C(NC1=O)N(C)C(N(C)C2=O)=O)C(F)(F)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3376 |
| logD: | -5.8611 |
| logSw: | -2.0516 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 145.477 |
| InChI Key: | LAJCLBLJNLPUFH-LBPRGKRZSA-N |