2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide
Chemical Structure Depiction of
2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide
2-[({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide
Compound characteristics
| Compound ID: | F688-0105 |
| Compound Name: | 2-[({5-[(2,5-dimethylphenoxy)methyl]-4-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: | Cc1ccc(C)c(c1)OCc1nnc(n1C)SCC1=CC(c2cc(ccc2N1)C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9644 |
| logD: | 2.5377 |
| logSw: | -3.371 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.466 |
| InChI Key: | KPEBQBZUPQYICD-UHFFFAOYSA-N |