ethyl 2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]butanoate
Chemical Structure Depiction of
ethyl 2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]butanoate
ethyl 2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]butanoate
Compound characteristics
| Compound ID: | G856-6741 |
| Compound Name: | ethyl 2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]butanoate |
| Molecular Weight: | 296.35 |
| Molecular Formula: | C12 H16 N4 O3 S |
| Smiles: | CCC(C(=O)OCC)Sc1nnc2NC(C=C(C)n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5454 |
| logD: | 1.5293 |
| logSw: | -2.3605 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.722 |
| InChI Key: | AXADXPQWTDSEEY-QMMMGPOBSA-N |