2-[({5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one
2-[({5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5996 |
| Compound Name: | 2-[({5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-methoxyquinolin-4(1H)-one |
| Molecular Weight: | 470.98 |
| Molecular Formula: | C23 H23 Cl N4 O3 S |
| Smiles: | Cc1cc(cc(C)c1[Cl])OCc1nnc(n1C)SCC1=CC(c2cccc(c2N1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3402 |
| logD: | 4.2265 |
| logSw: | -4.7429 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.699 |
| InChI Key: | NPTPYUPDVKLJJJ-UHFFFAOYSA-N |