3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
Chemical Structure Depiction of
3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
Compound characteristics
| Compound ID: | 4065-0392 |
| Compound Name: | 3-{[(2,4-dichlorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine |
| Molecular Weight: | 339.24 |
| Molecular Formula: | C14 H12 Cl2 N4 S |
| Smiles: | Cc1cc(C)n2c(nnc2n1)SCc1ccc(cc1[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.88 |
| logD: | 3.88 |
| logSw: | -4.0794 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.653 |
| InChI Key: | JKCOJLVRIKNVLI-UHFFFAOYSA-N |