2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-N-butylpyridine-3-carboxamide
Chemical Structure Depiction of
2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-N-butylpyridine-3-carboxamide
2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-N-butylpyridine-3-carboxamide
Compound characteristics
| Compound ID: | K781-3264 |
| Compound Name: | 2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-N-butylpyridine-3-carboxamide |
| Molecular Weight: | 440.33 |
| Molecular Formula: | C18 H19 Br F N3 O2 S |
| Smiles: | CCCCNC(c1cccnc1SCC(Nc1ccc(cc1F)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9577 |
| logD: | 3.9501 |
| logSw: | -3.8402 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.124 |
| InChI Key: | YRWOWVFPUBZDKO-UHFFFAOYSA-N |