2-({5-[(4-bromophenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-({5-[(4-bromophenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethan-1-one
2-({5-[(4-bromophenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8014-6183 |
| Compound Name: | 2-({5-[(4-bromophenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethan-1-one |
| Molecular Weight: | 539.41 |
| Molecular Formula: | C24 H19 Br N4 O4 S |
| Smiles: | Cc1ccccc1n1c(COc2ccc(cc2)[Br])nnc1SCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7069 |
| logD: | 5.7069 |
| logSw: | -5.456 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.515 |
| InChI Key: | UJDIJVBPTCZYMK-UHFFFAOYSA-N |