ethyl 7-(2-ethoxyphenyl)-5-methyl-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(2-ethoxyphenyl)-5-methyl-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(2-ethoxyphenyl)-5-methyl-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-2486 |
| Compound Name: | ethyl 7-(2-ethoxyphenyl)-5-methyl-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C22 H30 N4 O3 S |
| Smiles: | CCCCCSc1nc2NC(C)=C(C(c3ccccc3OCC)n2n1)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0506 |
| logD: | 5.8822 |
| logSw: | -5.2469 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.735 |
| InChI Key: | QRODONDRBGOCRA-IBGZPJMESA-N |