4-({[5-cyclopropyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[5-cyclopropyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[5-cyclopropyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V001-4830 |
| Compound Name: | 4-({[5-cyclopropyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C20 H18 N4 S |
| Smiles: | Cc1ccc(cc1)n1c(C2CC2)nnc1SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1992 |
| logD: | 4.1991 |
| logSw: | -4.1976 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.292 |
| InChI Key: | XCPDBBNXYNKEEK-UHFFFAOYSA-N |