{[5-({2-[(2,4-dichlorophenyl)methyl]-2H-tetrazol-5-yl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
Chemical Structure Depiction of
{[5-({2-[(2,4-dichlorophenyl)methyl]-2H-tetrazol-5-yl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
{[5-({2-[(2,4-dichlorophenyl)methyl]-2H-tetrazol-5-yl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile
Compound characteristics
| Compound ID: | 8017-6371 |
| Compound Name: | {[5-({2-[(2,4-dichlorophenyl)methyl]-2H-tetrazol-5-yl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile |
| Molecular Weight: | 395.27 |
| Molecular Formula: | C14 H12 Cl2 N8 S |
| Smiles: | Cn1c(Cc2nnn(Cc3ccc(cc3[Cl])[Cl])n2)nnc1SCC#N |
| Stereo: | ACHIRAL |
| logP: | 1.9856 |
| logD: | 1.8663 |
| logSw: | -2.567 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 83.156 |
| InChI Key: | VHAKYFWRJYCASA-UHFFFAOYSA-N |