2-({5-[(4-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-({5-[(4-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
2-({5-[(4-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | Y508-3177 |
| Compound Name: | 2-({5-[(4-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C25 H25 N5 O2 S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc(CNc2ccc(cc2)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4271 |
| logD: | 4.4271 |
| logSw: | -4.3638 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.888 |
| InChI Key: | ACSUTMJNUREDDQ-UHFFFAOYSA-N |