2-(benzylsulfanyl)-5-methyl-N-phenyl-7-(pyridin-4-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-5-methyl-N-phenyl-7-(pyridin-4-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-(benzylsulfanyl)-5-methyl-N-phenyl-7-(pyridin-4-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C118-0402 |
| Compound Name: | 2-(benzylsulfanyl)-5-methyl-N-phenyl-7-(pyridin-4-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C25 H22 N6 O S |
| Smiles: | CC1=C(C(c2ccncc2)n2c(N1)nc(n2)SCc1ccccc1)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9374 |
| logD: | 3.9367 |
| logSw: | -3.8519 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.019 |
| InChI Key: | UQQOSJKYRWMHLQ-QFIPXVFZSA-N |