3-[(3-phenylprop-2-en-1-yl)sulfanyl]-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Chemical Structure Depiction of
3-[(3-phenylprop-2-en-1-yl)sulfanyl]-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
3-[(3-phenylprop-2-en-1-yl)sulfanyl]-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
Compound characteristics
| Compound ID: | G856-6856 |
| Compound Name: | 3-[(3-phenylprop-2-en-1-yl)sulfanyl]-5-propyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one |
| Molecular Weight: | 326.42 |
| Molecular Formula: | C17 H18 N4 O S |
| Smiles: | CCCC1=CC(Nc2nnc(n12)SC/C=C/c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6348 |
| logD: | 3.6194 |
| logSw: | -3.766 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.058 |
| InChI Key: | UNDJCIAGKLUHMC-UHFFFAOYSA-N |