2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one
2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-6008 |
| Compound Name: | 2-[({5-[(2,5-dimethylphenoxy)methyl]-4-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: | Cc1ccc(C)c(c1)OCc1nnc(n1C)SCC1=CC(c2cccc(c2N1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6319 |
| logD: | 3.5182 |
| logSw: | -3.955 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.786 |
| InChI Key: | STMDJSNPCJHVNJ-UHFFFAOYSA-N |