2-(benzylsulfanyl)-5-methyl-7-[4-(methylsulfanyl)phenyl]-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-5-methyl-7-[4-(methylsulfanyl)phenyl]-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-(benzylsulfanyl)-5-methyl-7-[4-(methylsulfanyl)phenyl]-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-2618 |
| Compound Name: | 2-(benzylsulfanyl)-5-methyl-7-[4-(methylsulfanyl)phenyl]-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 499.66 |
| Molecular Formula: | C27 H25 N5 O S2 |
| Smiles: | CC1=C(C(c2ccc(cc2)SC)n2c(N1)nc(n2)SCc1ccccc1)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8144 |
| logD: | 5.8139 |
| logSw: | -5.5306 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.591 |
| InChI Key: | DFBFTVAOTWSZKU-DEOSSOPVSA-N |