ethyl 5-methyl-7-(2-methylphenyl)-2-{[(pyridin-3-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-7-(2-methylphenyl)-2-{[(pyridin-3-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-7-(2-methylphenyl)-2-{[(pyridin-3-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1166 |
| Compound Name: | ethyl 5-methyl-7-(2-methylphenyl)-2-{[(pyridin-3-yl)methyl]sulfanyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | CCOC(C1C(c2ccccc2C)n2c(NC=1C)nc(n2)SCc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0352 |
| logD: | 3.7401 |
| logSw: | -3.7179 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.771 |
| InChI Key: | UHGDEVQPAWNWOW-IBGZPJMESA-N |