3-nitrophenyl 2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Chemical Structure Depiction of
3-nitrophenyl 2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
3-nitrophenyl 2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate
Compound characteristics
Compound ID: | K786-1530 |
Compound Name: | 3-nitrophenyl 2-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyridine-3-carboxylate |
Molecular Weight: | 506.31 |
Molecular Formula: | C20 H13 Br F N3 O5 S |
Smiles: | C(C(Nc1ccc(cc1F)[Br])=O)Sc1c(cccn1)C(=O)Oc1cccc(c1)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 4.5445 |
logD: | 4.5369 |
logSw: | -4.5853 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 85.357 |
InChI Key: | BIGXRVUCGJDDGZ-UHFFFAOYSA-N |