N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)pyridine-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)pyridine-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K781-3350 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}sulfanyl)pyridine-3-carboxamide |
| Molecular Weight: | 519.54 |
| Molecular Formula: | C25 H24 F3 N3 O4 S |
| Smiles: | COc1ccc(CCNC(c2cccnc2SCC(Nc2cccc(c2)C(F)(F)F)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.9585 |
| logD: | 3.9581 |
| logSw: | -4.0855 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.811 |
| InChI Key: | NQVFUEGRXOQKBH-UHFFFAOYSA-N |