1-(4-bromophenyl)-2-({5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-({5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(4-bromophenyl)-2-({5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | 8013-9067 |
| Compound Name: | 1-(4-bromophenyl)-2-({5-[(3-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 527.87 |
| Molecular Formula: | C24 H20 Br Cl N4 O S |
| Smiles: | Cc1c(cccc1[Cl])NCc1nnc(n1c1ccccc1)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0924 |
| logD: | 6.0924 |
| logSw: | -6.0283 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.744 |
| InChI Key: | ABJFHYWWOADMEA-UHFFFAOYSA-N |