3-({[4-(3-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[4-(3-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[4-(3-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V002-7640 |
| Compound Name: | 3-({[4-(3-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 348.47 |
| Molecular Formula: | C20 H20 N4 S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1cccc(C)c1)SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5921 |
| logD: | 4.5916 |
| logSw: | -4.448 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.04 |
| InChI Key: | BQYNCBVLTJQGQZ-UHFFFAOYSA-N |