2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | G856-6707 |
| Compound Name: | 2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 343.41 |
| Molecular Formula: | C16 H17 N5 O2 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(NCCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7268 |
| logD: | 0.7106 |
| logSw: | -2.0501 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.01 |
| InChI Key: | LEKNKVLIWDJZMG-UHFFFAOYSA-N |