2-({5-[(3,4-dichloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide
Chemical Structure Depiction of
2-({5-[(3,4-dichloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide
2-({5-[(3,4-dichloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 8013-9178 |
| Compound Name: | 2-({5-[(3,4-dichloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide |
| Molecular Weight: | 576.5 |
| Molecular Formula: | C29 H23 Cl2 N5 O2 S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(Nc1ccc(cc1)Oc1ccccc1)=O)Nc1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.1216 |
| logD: | 7.1216 |
| logSw: | -6.6043 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.092 |
| InChI Key: | MMZYJMZXWPZVMY-UHFFFAOYSA-N |