2-{[(2-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine
2-{[(2-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | C121-0098 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 408.95 |
| Molecular Formula: | C22 H21 Cl N4 S |
| Smiles: | Cc1cccc(Cc2c(C)nc3nc(nn3c2C)SCc2ccccc2[Cl])c1 |
| Stereo: | ACHIRAL |
| logP: | 6.0001 |
| logD: | 5.9999 |
| logSw: | -6.2114 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5549 |
| InChI Key: | SKJSFSJZYYVSOZ-UHFFFAOYSA-N |