N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | C387-1441 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(methylsulfanyl)anilino]quinoline-4-carboxamide |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C27 H27 N3 O3 S |
| Smiles: | COc1ccc(CCNC(c2cc(Nc3cccc(c3)SC)nc3ccccc23)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.275 |
| logD: | 5.2746 |
| logSw: | -5.3709 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.564 |
| InChI Key: | CVYGHACTQONAPW-UHFFFAOYSA-N |