2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(propan-2-yl)acetamide
2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | G856-6825 |
| Compound Name: | 2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(propan-2-yl)acetamide |
| Molecular Weight: | 343.41 |
| Molecular Formula: | C16 H17 N5 O2 S |
| Smiles: | CC(C)NC(CSc1nnc2NC(C=C(c3ccccc3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3608 |
| logD: | 1.3539 |
| logSw: | -2.1573 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.552 |
| InChI Key: | CXVUOMOFQDIIJK-UHFFFAOYSA-N |