2-[({5-[(4-tert-butylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-fluoroquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({5-[(4-tert-butylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-fluoroquinolin-4(1H)-one
2-[({5-[(4-tert-butylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-fluoroquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5889 |
| Compound Name: | 2-[({5-[(4-tert-butylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-fluoroquinolin-4(1H)-one |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C25 H27 F N4 O2 S |
| Smiles: | CCn1c(COc2ccc(cc2)C(C)(C)C)nnc1SCC1=CC(c2cccc(c2N1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3768 |
| logD: | 5.1161 |
| logSw: | -5.355 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.984 |
| InChI Key: | ZKGGTVIMGNKKPO-UHFFFAOYSA-N |