methyl 7-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 7-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
methyl 7-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y021-3548 |
| Compound Name: | methyl 7-(2-methoxy-2-oxoethyl)-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 298.32 |
| Molecular Formula: | C11 H14 N4 O4 S |
| Smiles: | COC(CC1C(=CNc2nc(nn12)SC)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9666 |
| logD: | 0.9606 |
| logSw: | -1.8902 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.985 |
| InChI Key: | ZTENBAVDANEGSQ-ZETCQYMHSA-N |