N-(3-bromophenyl)-2-({5-[(2-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-bromophenyl)-2-({5-[(2-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3-bromophenyl)-2-({5-[(2-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y500-1173 |
| Compound Name: | N-(3-bromophenyl)-2-({5-[(2-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 524.44 |
| Molecular Formula: | C24 H22 Br N5 O2 S |
| Smiles: | COc1ccccc1NCc1nnc(n1c1ccccc1)SCC(Nc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.735 |
| logD: | 4.7349 |
| logSw: | -4.5382 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.277 |
| InChI Key: | OGYUDWOFKJSGJC-UHFFFAOYSA-N |