4-{2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamido}benzamide
Chemical Structure Depiction of
4-{2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamido}benzamide
4-{2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamido}benzamide
Compound characteristics
| Compound ID: | G856-6813 |
| Compound Name: | 4-{2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamido}benzamide |
| Molecular Weight: | 420.45 |
| Molecular Formula: | C20 H16 N6 O3 S |
| Smiles: | C(C(Nc1ccc(cc1)C(N)=O)=O)Sc1nnc2NC(C=C(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.247 |
| logD: | 1.2401 |
| logSw: | -2.131 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 109.043 |
| InChI Key: | HAIGARUQFXZBPQ-UHFFFAOYSA-N |