N-tert-butyl-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-tert-butyl-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-tert-butyl-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6826 |
| Compound Name: | N-tert-butyl-2-[(7-oxo-5-phenyl-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: | CC(C)(C)NC(CSc1nnc2NC(C=C(c3ccccc3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0116 |
| logD: | 2.0047 |
| logSw: | -2.4292 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.401 |
| InChI Key: | PWPSEYLVXGBPBJ-UHFFFAOYSA-N |