ethyl [2-(methylsulfanyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
Chemical Structure Depiction of
ethyl [2-(methylsulfanyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
ethyl [2-(methylsulfanyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
Compound characteristics
| Compound ID: | D718-0275 |
| Compound Name: | ethyl [2-(methylsulfanyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate |
| Molecular Weight: | 268.29 |
| Molecular Formula: | C10 H12 N4 O3 S |
| Smiles: | CCOC(CC1=CC(n2c(N1)nc(n2)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9 |
| logD: | -0.2861 |
| logSw: | -2.1446 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.493 |
| InChI Key: | JQQBDENYGWTCQF-UHFFFAOYSA-N |