methyl [2-(methylsulfanyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
Chemical Structure Depiction of
methyl [2-(methylsulfanyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
methyl [2-(methylsulfanyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
Compound characteristics
| Compound ID: | 8019-6416 |
| Compound Name: | methyl [2-(methylsulfanyl)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate |
| Molecular Weight: | 254.26 |
| Molecular Formula: | C9 H10 N4 O3 S |
| Smiles: | COC(CC1=CC(n2c(N1)nc(n2)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4474 |
| logD: | -0.7387 |
| logSw: | -2.046 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.913 |
| InChI Key: | BSIMRPDZGPNHRU-UHFFFAOYSA-N |