2-[({4-ethyl-5-[(4-ethylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-fluoroquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({4-ethyl-5-[(4-ethylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-fluoroquinolin-4(1H)-one
2-[({4-ethyl-5-[(4-ethylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-fluoroquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5925 |
| Compound Name: | 2-[({4-ethyl-5-[(4-ethylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-fluoroquinolin-4(1H)-one |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C23 H23 F N4 O2 S |
| Smiles: | CCc1ccc(cc1)OCc1nnc(n1CC)SCC1=CC(c2cc(ccc2N1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9543 |
| logD: | 4.7313 |
| logSw: | -4.6082 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.236 |
| InChI Key: | MHSOBRQDYHVQRW-UHFFFAOYSA-N |