3-(benzylsulfanyl)-4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(benzylsulfanyl)-4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole
3-(benzylsulfanyl)-4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V015-2296 |
| Compound Name: | 3-(benzylsulfanyl)-4-cyclohexyl-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C23 H27 N3 O2 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1C1CCCCC1)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3772 |
| logD: | 5.3772 |
| logSw: | -5.3266 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.633 |
| InChI Key: | VGOKNTRWJKSTEU-UHFFFAOYSA-N |