2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
Chemical Structure Depiction of
2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K781-3265 |
| Compound Name: | 2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide |
| Molecular Weight: | 548.43 |
| Molecular Formula: | C24 H23 Br F N3 O4 S |
| Smiles: | COc1ccc(CCNC(c2cccnc2SCC(Nc2ccc(cc2F)[Br])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.5958 |
| logD: | 3.5882 |
| logSw: | -3.8627 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.113 |
| InChI Key: | MZSBRVLENJJGQQ-UHFFFAOYSA-N |