3-[(2-oxo-2-phenylethyl)sulfanyl]-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-[(2-oxo-2-phenylethyl)sulfanyl]-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-[(2-oxo-2-phenylethyl)sulfanyl]-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6823 |
| Compound Name: | 3-[(2-oxo-2-phenylethyl)sulfanyl]-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 362.41 |
| Molecular Formula: | C19 H14 N4 O2 S |
| Smiles: | C(C(c1ccccc1)=O)Sc1nnc2NC(C=C(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6233 |
| logD: | 2.6164 |
| logSw: | -3.0204 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.081 |
| InChI Key: | RNHDPXQZRSVQHU-UHFFFAOYSA-N |