2-[({5-[(4-tert-butylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methylquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({5-[(4-tert-butylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methylquinolin-4(1H)-one
2-[({5-[(4-tert-butylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5625 |
| Compound Name: | 2-[({5-[(4-tert-butylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-methylquinolin-4(1H)-one |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C26 H30 N4 O2 S |
| Smiles: | CCn1c(COc2ccc(cc2)C(C)(C)C)nnc1SCC1=CC(c2cc(C)ccc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9992 |
| logD: | 5.9931 |
| logSw: | -5.4382 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.236 |
| InChI Key: | XXFUXVPYWLZFKG-UHFFFAOYSA-N |