2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
Chemical Structure Depiction of
2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K781-3263 |
| Compound Name: | 2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide |
| Molecular Weight: | 488.38 |
| Molecular Formula: | C22 H19 Br F N3 O2 S |
| Smiles: | Cc1ccc(CNC(c2cccnc2SCC(Nc2ccc(cc2F)[Br])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5686 |
| logD: | 4.561 |
| logSw: | -4.4279 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.011 |
| InChI Key: | RZNQXWCFRHMCSJ-UHFFFAOYSA-N |