2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | Y020-7884 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-6-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 410.92 |
| Molecular Formula: | C21 H19 Cl N4 O S |
| Smiles: | CC1=C(Cc2ccccc2C)C(n2c(N1)nc(n2)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3817 |
| logD: | 5.3195 |
| logSw: | -5.9239 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.702 |
| InChI Key: | HNCOPZLWUMGPQS-UHFFFAOYSA-N |