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 |