2-[({4-ethyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({4-ethyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one
2-[({4-ethyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5977 |
| Compound Name: | 2-[({4-ethyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | CCn1c(COc2ccc(cc2)OC)nnc1SCC1=CC(c2cccc(c2N1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3062 |
| logD: | 3.1925 |
| logSw: | -3.7495 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.158 |
| InChI Key: | HMMHPKZQRVTZSF-UHFFFAOYSA-N |