2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 8014-0391 |
| Compound Name: | 2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 479.99 |
| Molecular Formula: | C24 H22 Cl N5 O2 S |
| Smiles: | COc1cccc(c1)NC(CSc1nnc(CNc2cccc(c2)[Cl])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7772 |
| logD: | 4.7772 |
| logSw: | -4.8227 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.888 |
| InChI Key: | OMUAGGSIUYCTNV-UHFFFAOYSA-N |