2-[({5-[(2,3-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7,8-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({5-[(2,3-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7,8-dimethylquinolin-4(1H)-one
2-[({5-[(2,3-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7,8-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5649 |
| Compound Name: | 2-[({5-[(2,3-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-7,8-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C25 H28 N4 O2 S |
| Smiles: | CCn1c(COc2cccc(C)c2C)nnc1SCC1=CC(c2ccc(C)c(C)c2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2752 |
| logD: | 5.27 |
| logSw: | -5.1646 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.07 |
| InChI Key: | CZTMGCPMHKTBOY-UHFFFAOYSA-N |