N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfanyl]quinoline-4-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfanyl]quinoline-4-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfanyl]quinoline-4-carboxamide
Compound characteristics
Compound ID: | C072-0276 |
Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfanyl]quinoline-4-carboxamide |
Molecular Weight: | 462.54 |
Molecular Formula: | C26 H23 F N2 O3 S |
Smiles: | COc1ccc(CCNC(c2cc(nc3ccccc23)Sc2ccc(cc2)F)=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 5.3485 |
logD: | 5.3485 |
logSw: | -5.6007 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.174 |
InChI Key: | RUYWAMXGXXHKJP-UHFFFAOYSA-N |