2-({[5-(methoxymethyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
2-({[5-(methoxymethyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
2-({[5-(methoxymethyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V009-1112 |
| Compound Name: | 2-({[5-(methoxymethyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 350.44 |
| Molecular Formula: | C19 H18 N4 O S |
| Smiles: | Cc1ccccc1n1c(COC)nnc1SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 3.3227 |
| logD: | 3.3227 |
| logSw: | -3.7296 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.139 |
| InChI Key: | XCISCOHUABZBGE-UHFFFAOYSA-N |