2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-N-octylpyridine-3-carboxamide
Chemical Structure Depiction of
2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-N-octylpyridine-3-carboxamide
2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-N-octylpyridine-3-carboxamide
Compound characteristics
| Compound ID: | K781-3632 |
| Compound Name: | 2-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-N-octylpyridine-3-carboxamide |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C24 H33 N3 O4 S |
| Smiles: | CCCCCCCCNC(c1cccnc1SCC(Nc1ccc(cc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9391 |
| logD: | 4.939 |
| logSw: | -4.6378 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.298 |
| InChI Key: | TVRLVDPMJNNZAQ-UHFFFAOYSA-N |