1-(4-bromophenyl)-2-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(4-bromophenyl)-2-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | 8008-0954 |
| Compound Name: | 1-(4-bromophenyl)-2-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 562.53 |
| Molecular Formula: | C29 H28 Br N3 O2 S |
| Smiles: | C1CCC(CC1)c1ccc(cc1)OCc1nnc(n1c1ccccc1)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 7.3889 |
| logD: | 7.3889 |
| logSw: | -5.9875 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.355 |
| InChI Key: | YMYOPQBRPACTPE-UHFFFAOYSA-N |