2-(benzylsulfanyl)-7-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-(benzylsulfanyl)-7-(4-ethoxyphenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C118-0368 |
| Compound Name: | 2-(benzylsulfanyl)-7-(4-ethoxyphenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 498.61 |
| Molecular Formula: | C27 H26 N6 O2 S |
| Smiles: | CCOc1ccc(cc1)C1C(=C(C)Nc2nc(nn12)SCc1ccccc1)C(Nc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5793 |
| logD: | 4.5788 |
| logSw: | -4.0752 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.232 |
| InChI Key: | KGEUISUAEMCHHM-DEOSSOPVSA-N |