2-(benzylsulfanyl)-7-(3-hydroxyphenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-7-(3-hydroxyphenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-(benzylsulfanyl)-7-(3-hydroxyphenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C118-0374 |
| Compound Name: | 2-(benzylsulfanyl)-7-(3-hydroxyphenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C25 H22 N6 O2 S |
| Smiles: | CC1=C(C(c2cccc(c2)O)n2c(N1)nc(n2)SCc1ccccc1)C(Nc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7733 |
| logD: | 3.7656 |
| logSw: | -3.5857 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.726 |
| InChI Key: | KWSMSJWGPFUOGQ-QFIPXVFZSA-N |