2-[({4-ethyl-5-[(4-ethylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({4-ethyl-5-[(4-ethylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one
2-[({4-ethyl-5-[(4-ethylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5993 |
| Compound Name: | 2-[({4-ethyl-5-[(4-ethylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | CCc1ccc(cc1)OCc1nnc(n1CC)SCC1=CC(c2cccc(c2N1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2545 |
| logD: | 4.1408 |
| logSw: | -4.3743 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.614 |
| InChI Key: | UVBBLJNATUREKN-UHFFFAOYSA-N |