N-benzyl-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-benzyl-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6703 |
| Compound Name: | N-benzyl-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 329.38 |
| Molecular Formula: | C15 H15 N5 O2 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.952 |
| logD: | 0.9359 |
| logSw: | -2.0565 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.169 |
| InChI Key: | GSMUQHJGEGEACI-UHFFFAOYSA-N |