4-({[4,5-bis(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[4,5-bis(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
4-({[4,5-bis(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-0542 |
| Compound Name: | 4-({[4,5-bis(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C24 H20 N4 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1c1nnc(n1c1ccccc1C)SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.209 |
| logD: | 5.2086 |
| logSw: | -5.229 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.468 |
| InChI Key: | ZECMMBCPJICLJN-UHFFFAOYSA-N |