2-[({4-ethyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-5,7-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({4-ethyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-5,7-dimethylquinolin-4(1H)-one
2-[({4-ethyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-5,7-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5713 |
| Compound Name: | 2-[({4-ethyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-5,7-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | CCn1c(COc2ccc(cc2)OC)nnc1SCC1=CC(c2c(C)cc(C)cc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5952 |
| logD: | 4.5821 |
| logSw: | -4.5437 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.779 |
| InChI Key: | BPFHKCILGJPKKU-UHFFFAOYSA-N |