6-butyl-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-butyl-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-butyl-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D718-0307 |
| Compound Name: | 6-butyl-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 362.88 |
| Molecular Formula: | C17 H19 Cl N4 O S |
| Smiles: | CCCCC1=C(C)Nc2nc(nn2C1=O)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7034 |
| logD: | 4.5324 |
| logSw: | -4.7745 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.974 |
| InChI Key: | YAZVHKWATUWJJM-UHFFFAOYSA-N |