1-(4-bromophenyl)-2-({5-[(4-methylanilino)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-({5-[(4-methylanilino)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(4-bromophenyl)-2-({5-[(4-methylanilino)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | 8013-4921 |
| Compound Name: | 1-(4-bromophenyl)-2-({5-[(4-methylanilino)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 507.45 |
| Molecular Formula: | C25 H23 Br N4 O S |
| Smiles: | Cc1ccc(cc1)NCc1nnc(n1c1ccccc1C)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9499 |
| logD: | 5.9499 |
| logSw: | -5.5419 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.141 |
| InChI Key: | ZFQCTLSIYHJKGD-UHFFFAOYSA-N |