1-(4-methoxyphenyl)-2-{[5-(naphthalen-1-yl)-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)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-methoxyphenyl)-2-{[5-(naphthalen-1-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | Y500-5185 |
| Compound Name: | 1-(4-methoxyphenyl)-2-{[5-(naphthalen-1-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C27 H21 N3 O2 S |
| Smiles: | COc1ccc(cc1)C(CSc1nnc(c2cccc3ccccc23)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5332 |
| logD: | 5.5332 |
| logSw: | -6.52 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.232 |
| InChI Key: | NTTBMIIQYMDVJI-UHFFFAOYSA-N |