3-{[(5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[(5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
3-{[(5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V001-8725 |
| Compound Name: | 3-{[(5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 374.51 |
| Molecular Formula: | C22 H22 N4 S |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)c1nnc(n1c1ccccc1)SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0545 |
| logD: | 5.0545 |
| logSw: | -4.8726 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.961 |
| InChI Key: | TUASHXSDODQRAV-UHFFFAOYSA-N |