2-[({5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-5,7-dimethylquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-5,7-dimethylquinolin-4(1H)-one
2-[({5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-5,7-dimethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5745 |
| Compound Name: | 2-[({5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-5,7-dimethylquinolin-4(1H)-one |
| Molecular Weight: | 448.59 |
| Molecular Formula: | C25 H28 N4 O2 S |
| Smiles: | CCn1c(COc2cc(C)ccc2C)nnc1SCC1=CC(c2c(C)cc(C)cc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5354 |
| logD: | 5.5223 |
| logSw: | -5.3537 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.322 |
| InChI Key: | XVHZVXBIUCTDSD-UHFFFAOYSA-N |