6-benzyl-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-benzyl-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-benzyl-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D718-0308 |
| Compound Name: | 6-benzyl-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 396.9 |
| Molecular Formula: | C20 H17 Cl N4 O S |
| Smiles: | CC1=C(Cc2ccccc2)C(n2c(N1)nc(n2)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5821 |
| logD: | 4.52 |
| logSw: | -4.8733 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.702 |
| InChI Key: | YXXLFNJTCSTBDX-UHFFFAOYSA-N |