2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D718-0305 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 334.82 |
| Molecular Formula: | C15 H15 Cl N4 O S |
| Smiles: | CC(C)C1=CC(n2c(N1)nc(n2)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6002 |
| logD: | 2.5672 |
| logSw: | -4.0507 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.957 |
| InChI Key: | PRBVJVMASKRLAS-UHFFFAOYSA-N |