N-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-[(4-fluorophenyl)methyl]-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6704 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C15 H14 F N5 O2 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(NCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9811 |
| logD: | 0.965 |
| logSw: | -2.233 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.169 |
| InChI Key: | DXDBVNXHAJKGBB-UHFFFAOYSA-N |