3-{[(2-chlorophenyl)methyl]sulfanyl}-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methyl]sulfanyl}-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole
3-{[(2-chlorophenyl)methyl]sulfanyl}-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8012-4168 |
| Compound Name: | 3-{[(2-chlorophenyl)methyl]sulfanyl}-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 490.07 |
| Molecular Formula: | C28 H28 Cl N3 O S |
| Smiles: | C1CCC(CC1)c1ccc(cc1)OCc1nnc(n1c1ccccc1)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.6886 |
| logD: | 7.6886 |
| logSw: | -6.8308 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.108 |
| InChI Key: | LRIGFVMVOUISOG-UHFFFAOYSA-N |