N-[3-(cyclohexylsulfanyl)propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide
N-[3-(cyclohexylsulfanyl)propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K788-6008 |
| Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide |
| Molecular Weight: | 479.64 |
| Molecular Formula: | C27 H33 N3 O3 S |
| Smiles: | COc1ccc(cc1OC)Nc1cc(C(NCCCSC2CCCCC2)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.9155 |
| logD: | 5.9151 |
| logSw: | -5.6509 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.757 |
| InChI Key: | SHONNAHXZVQFOT-UHFFFAOYSA-N |