2-[({4-ethyl-5-[(4-ethylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7,8-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({4-ethyl-5-[(4-ethylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7,8-dimethylquinolin-4(1H)-one
2-[({4-ethyl-5-[(4-ethylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7,8-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5661 |
| Compound Name: | 2-[({4-ethyl-5-[(4-ethylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7,8-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C25 H28 N4 O2 S |
| Smiles: | CCc1ccc(cc1)OCc1nnc(n1CC)SCC1=CC(c2ccc(C)c(C)c2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.328 |
| logD: | 5.3227 |
| logSw: | -5.2413 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.984 |
| InChI Key: | LLVWYHMSEKFVHE-UHFFFAOYSA-N |