2-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Chemical Structure Depiction of
2-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
2-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one
Compound characteristics
| Compound ID: | G751-0137 |
| Compound Name: | 2-[({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]quinolin-4(1H)-one |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | Cc1ccccc1OCc1nnc(n1C)SCC1=CC(c2ccccc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4508 |
| logD: | 3.4462 |
| logSw: | -3.9519 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.408 |
| InChI Key: | YEVHLVVXFPLLDO-UHFFFAOYSA-N |