6-[(3-chlorophenyl)methyl]-5,7-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
6-[(3-chlorophenyl)methyl]-5,7-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
6-[(3-chlorophenyl)methyl]-5,7-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K784-5810 |
| Compound Name: | 6-[(3-chlorophenyl)methyl]-5,7-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 408.95 |
| Molecular Formula: | C22 H21 Cl N4 S |
| Smiles: | Cc1ccccc1CSc1nc2nc(C)c(Cc3cccc(c3)[Cl])c(C)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.1503 |
| logD: | 6.1496 |
| logSw: | -6.1998 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.5549 |
| InChI Key: | GVTDRHSZRQYVKU-UHFFFAOYSA-N |