ethyl 5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1329 |
| Compound Name: | ethyl 5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 426.56 |
| Molecular Formula: | C21 H22 N4 O2 S2 |
| Smiles: | CCOC(C1C(c2cccs2)n2c(NC=1C)nc(n2)SCc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3182 |
| logD: | 5.181 |
| logSw: | -5.2111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.271 |
| InChI Key: | YZIOQLXJIUEKFW-SFHVURJKSA-N |