3-({[5-cyclopropyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[5-cyclopropyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[5-cyclopropyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V001-4842 |
| Compound Name: | 3-({[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 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(C2CC2)nnc1SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3969 |
| logD: | 4.3968 |
| logSw: | -4.385 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.292 |
| InChI Key: | NEPGLTGJWZPBIH-UHFFFAOYSA-N |