ethyl 7-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y021-3102 |
| Compound Name: | ethyl 7-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 342.42 |
| Molecular Formula: | C17 H18 N4 O2 S |
| Smiles: | CCOC(c1cnc2nc(nn2c1C)SCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1368 |
| logD: | 3.1368 |
| logSw: | -3.1256 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.525 |
| InChI Key: | GJWCEHXPVBWFIG-UHFFFAOYSA-N |