2-(benzylsulfanyl)-N-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
2-(benzylsulfanyl)-N-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | D718-0413 |
| Compound Name: | 2-(benzylsulfanyl)-N-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 409.47 |
| Molecular Formula: | C20 H19 N5 O3 S |
| Smiles: | COc1ccc(cc1)NC(C1CC(Nc2nc(nn12)SCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4682 |
| logD: | 2.468 |
| logSw: | -2.8432 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.667 |
| InChI Key: | PEXUHYJRKYGAGJ-INIZCTEOSA-N |