2-[({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide
Chemical Structure Depiction of
2-[({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide
2-[({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide
Compound characteristics
| Compound ID: | F688-0084 |
| Compound Name: | 2-[({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | CCn1c(COc2cccc(C)c2)nnc1SCC1=CC(c2cc(ccc2N1)C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1477 |
| logD: | 2.7209 |
| logSw: | -3.3496 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.294 |
| InChI Key: | GMXHUZONZAAXHM-UHFFFAOYSA-N |