2-[({5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7,8-dimethylquinolin-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]-7,8-dimethylquinolin-4(1H)-one
2-[({5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7,8-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5664 |
| Compound Name: | 2-[({5-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7,8-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 469 |
| Molecular Formula: | C24 H25 Cl N4 O2 S |
| Smiles: | Cc1ccc2C(C=C(CSc3nnc(COc4cc(C)c(c(C)c4)[Cl])n3C)Nc2c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4136 |
| logD: | 5.4083 |
| logSw: | -5.8922 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.069 |
| InChI Key: | JTBABIRGIHVBPR-UHFFFAOYSA-N |