N-(4-methylphenyl)-2-[(7-oxo-5-propyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-methylphenyl)-2-[(7-oxo-5-propyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-(4-methylphenyl)-2-[(7-oxo-5-propyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6872 |
| Compound Name: | N-(4-methylphenyl)-2-[(7-oxo-5-propyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 357.43 |
| Molecular Formula: | C17 H19 N5 O2 S |
| Smiles: | CCCC1=CC(Nc2nnc(n12)SCC(Nc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7386 |
| logD: | 2.7232 |
| logSw: | -3.0828 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.208 |
| InChI Key: | UMPHRUWUUIUTBT-UHFFFAOYSA-N |