2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-fluoroquinolin-4(1H)-one
Chemical Structure Depiction of
2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-fluoroquinolin-4(1H)-one
2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-fluoroquinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-5940 |
| Compound Name: | 2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-6-fluoroquinolin-4(1H)-one |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H21 F N4 O2 S |
| Smiles: | Cc1ccc(C)c(c1)OCc1nnc(n1C)SCC1=CC(c2cc(ccc2N1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3317 |
| logD: | 4.1087 |
| logSw: | -4.3532 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.408 |
| InChI Key: | MBGPRNZYRAKWSM-UHFFFAOYSA-N |