3-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6765 |
| Compound Name: | 3-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C23 H22 N6 O2 S |
| Smiles: | C1CN(CCN1C(CSc1nnc2NC(C=C(c3ccccc3)n12)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4993 |
| logD: | 2.4924 |
| logSw: | -2.7523 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.487 |
| InChI Key: | XHVDIJGKSBZCLQ-UHFFFAOYSA-N |