3-{[(4-chlorophenyl)methyl]sulfanyl}-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole
3-{[(4-chlorophenyl)methyl]sulfanyl}-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | V013-9694 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-4-cyclohexyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 443.99 |
| Molecular Formula: | C23 H26 Cl N3 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1C1CCCCC1)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6273 |
| logD: | 5.6273 |
| logSw: | -6.0681 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.806 |
| InChI Key: | DNVCARFJYZCQRM-UHFFFAOYSA-N |