2-[({4-ethyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-fluoroquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({4-ethyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-fluoroquinolin-4(1H)-one
2-[({4-ethyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-fluoroquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5875 |
| Compound Name: | 2-[({4-ethyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-8-fluoroquinolin-4(1H)-one |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C22 H21 F N4 O3 S |
| Smiles: | CCn1c(COc2ccc(cc2)OC)nnc1SCC1=CC(c2cccc(c2N1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5647 |
| logD: | 3.304 |
| logSw: | -3.8086 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.527 |
| InChI Key: | DOMYISBFURIXLU-UHFFFAOYSA-N |