N-[3-(butylsulfanyl)propyl]-2-(2,4-dimethoxyanilino)quinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(butylsulfanyl)propyl]-2-(2,4-dimethoxyanilino)quinoline-4-carboxamide
N-[3-(butylsulfanyl)propyl]-2-(2,4-dimethoxyanilino)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K788-5229 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-2-(2,4-dimethoxyanilino)quinoline-4-carboxamide |
| Molecular Weight: | 453.6 |
| Molecular Formula: | C25 H31 N3 O3 S |
| Smiles: | CCCCSCCCNC(c1cc(Nc2ccc(cc2OC)OC)nc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8479 |
| logD: | 5.8344 |
| logSw: | -5.6576 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.051 |
| InChI Key: | ZVOUDFBDDBWGRH-UHFFFAOYSA-N |