2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-N-pentylpyridine-3-carboxamide
Chemical Structure Depiction of
2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-N-pentylpyridine-3-carboxamide
2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-N-pentylpyridine-3-carboxamide
Compound characteristics
| Compound ID: | K781-3267 |
| Compound Name: | 2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-N-pentylpyridine-3-carboxamide |
| Molecular Weight: | 454.36 |
| Molecular Formula: | C19 H21 Br F N3 O2 S |
| Smiles: | CCCCCNC(c1cccnc1SCC(Nc1ccc(cc1F)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3867 |
| logD: | 4.3791 |
| logSw: | -4.2137 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.124 |
| InChI Key: | JTEHXBYYUXSTIE-UHFFFAOYSA-N |