1-(4-methoxyphenyl)-2-[(5-{[(naphthalen-1-yl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(4-methoxyphenyl)-2-[(5-{[(naphthalen-1-yl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
1-(4-methoxyphenyl)-2-[(5-{[(naphthalen-1-yl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | Y500-5184 |
| Compound Name: | 1-(4-methoxyphenyl)-2-[(5-{[(naphthalen-1-yl)amino]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C28 H24 N4 O2 S |
| Smiles: | COc1ccc(cc1)C(CSc1nnc(CNc2cccc3ccccc23)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1179 |
| logD: | 5.1179 |
| logSw: | -5.8029 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.016 |
| InChI Key: | KNENGTZGYPVOQS-UHFFFAOYSA-N |