2-[({5-[(3,4-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methylquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({5-[(3,4-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methylquinolin-4(1H)-one
2-[({5-[(3,4-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5560 |
| Compound Name: | 2-[({5-[(3,4-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methylquinolin-4(1H)-one |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C23 H24 N4 O2 S |
| Smiles: | Cc1ccc(cc1C)OCc1nnc(n1C)SCC1=CC(c2cccc(C)c2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.178 |
| logD: | 4.17 |
| logSw: | -4.3364 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.069 |
| InChI Key: | RSFHDTMACDTQBN-UHFFFAOYSA-N |