2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6,8-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6,8-dimethylquinolin-4(1H)-one
2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6,8-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5710 |
| Compound Name: | 2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6,8-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C24 H26 N4 O2 S |
| Smiles: | Cc1ccc(C)c(c1)OCc1nnc(n1C)SCC1=CC(c2cc(C)cc(C)c2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4422 |
| logD: | 4.4317 |
| logSw: | -4.3649 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.155 |
| InChI Key: | ITMLAOXMRSOJBQ-UHFFFAOYSA-N |