2-[({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6,8-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6,8-dimethylquinolin-4(1H)-one
2-[({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6,8-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5678 |
| Compound Name: | 2-[({5-[(4-methoxyphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6,8-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | Cc1cc(C)c2c(c1)C(C=C(CSc1nnc(COc3ccc(cc3)OC)n1C)N2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.502 |
| logD: | 3.4915 |
| logSw: | -3.7935 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.613 |
| InChI Key: | OKJJKSSEYVTVCA-UHFFFAOYSA-N |