3-({[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V003-0120 |
| Compound Name: | 3-({[4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C24 H26 N4 O2 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1C1CCCCC1)SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2293 |
| logD: | 5.2293 |
| logSw: | -5.0909 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.689 |
| InChI Key: | WAOUIWKMXWTKQB-UHFFFAOYSA-N |