N-(4-acetamidophenyl)-2-(benzylsulfanyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-2-(benzylsulfanyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
N-(4-acetamidophenyl)-2-(benzylsulfanyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | D718-0408 |
| Compound Name: | N-(4-acetamidophenyl)-2-(benzylsulfanyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C21 H20 N6 O3 S |
| Smiles: | CC(Nc1ccc(cc1)NC(C1CC(Nc2nc(nn12)SCc1ccccc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.687 |
| logD: | 1.6868 |
| logSw: | -2.1527 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.386 |
| InChI Key: | KPEALYHAHNCYLF-KRWDZBQOSA-N |