4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V030-8321 |
| Compound Name: | 4-cyclohexyl-3-(3,5-dimethoxyphenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C23 H26 F N3 O2 S |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1C1CCCCC1)SCc1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.9414 |
| logD: | 5.9414 |
| logSw: | -5.4767 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.633 |
| InChI Key: | FUWXMEPJUNTYDO-UHFFFAOYSA-N |