2-({5-[(4-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-({5-[(4-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one
2-({5-[(4-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | Y500-1521 |
| Compound Name: | 2-({5-[(4-methoxyanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C25 H24 N4 O3 S |
| Smiles: | COc1ccc(cc1)C(CSc1nnc(CNc2ccc(cc2)OC)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1767 |
| logD: | 4.1767 |
| logSw: | -4.2687 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.529 |
| InChI Key: | XFEPDHOZUWDQEV-UHFFFAOYSA-N |