2-[({5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-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-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide
2-[({5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide
Compound characteristics
| Compound ID: | F688-0106 |
| Compound Name: | 2-[({5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide |
| Molecular Weight: | 463.56 |
| Molecular Formula: | C24 H25 N5 O3 S |
| Smiles: | CCn1c(COc2cc(C)ccc2C)nnc1SCC1=CC(c2cc(ccc2N1)C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.579 |
| logD: | 3.1522 |
| logSw: | -3.8437 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.381 |
| InChI Key: | YEGIXQHNAQKDAS-UHFFFAOYSA-N |