2-(benzylsulfanyl)-6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
2-(benzylsulfanyl)-6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
2-(benzylsulfanyl)-6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K784-5811 |
| Compound Name: | 2-(benzylsulfanyl)-6-[(2-chlorophenyl)methyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 394.92 |
| Molecular Formula: | C21 H19 Cl N4 S |
| Smiles: | Cc1c(Cc2ccccc2[Cl])c(C)n2c(n1)nc(n2)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0599 |
| logD: | 5.0597 |
| logSw: | -5.3112 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5549 |
| InChI Key: | GPTYQLQJJOIVMZ-UHFFFAOYSA-N |