methyl {[5-(2-methoxy-2-oxoethyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(2-methoxy-2-oxoethyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}acetate
methyl {[5-(2-methoxy-2-oxoethyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D718-0283 |
| Compound Name: | methyl {[5-(2-methoxy-2-oxoethyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 312.3 |
| Molecular Formula: | C11 H12 N4 O5 S |
| Smiles: | COC(CC1=CC(n2c(N1)nc(n2)SCC(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0507 |
| logD: | -1.0017 |
| logSw: | -2.0887 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.492 |
| InChI Key: | GVXSEEZAOXKTDL-UHFFFAOYSA-N |