2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D718-0306 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-6-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 348.85 |
| Molecular Formula: | C16 H17 Cl N4 O S |
| Smiles: | CCCC1=C(C)Nc2nc(nn2C1=O)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0827 |
| logD: | 3.9117 |
| logSw: | -4.3987 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.974 |
| InChI Key: | VZIJPOKYFYYAFB-UHFFFAOYSA-N |