N-(2H-1,3-benzodioxol-5-yl)-2-(benzylsulfanyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-(benzylsulfanyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-2-(benzylsulfanyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | D718-0416 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-(benzylsulfanyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C20 H17 N5 O4 S |
| Smiles: | C1C(C(Nc2ccc3c(c2)OCO3)=O)n2c(NC1=O)nc(n2)SCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3189 |
| logD: | 2.3187 |
| logSw: | -3.0069 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.239 |
| InChI Key: | KMLTYUWCMNUVTO-AWEZNQCLSA-N |