2-[({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one
2-[({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5987 |
| Compound Name: | 2-[({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | CCn1c(COc2cccc(C)c2)nnc1SCC1=CC(c2cccc(c2N1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8151 |
| logD: | 3.7014 |
| logSw: | -3.9047 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.614 |
| InChI Key: | SMRLDKRHGJGYRK-UHFFFAOYSA-N |