7-(3-bromo-4-fluorophenyl)-3-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
7-(3-bromo-4-fluorophenyl)-3-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
7-(3-bromo-4-fluorophenyl)-3-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0981 |
| Compound Name: | 7-(3-bromo-4-fluorophenyl)-3-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 464.28 |
| Molecular Formula: | C20 H12 Br F2 N O3 S |
| Smiles: | C1C(c2ccc(c(c2)[Br])F)c2c(c(c3cccc(c3)F)c(C(O)=O)s2)NC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1227 |
| logD: | 2.3227 |
| logSw: | -4.3889 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.691 |
| InChI Key: | KLWSXSNFHZOHMK-GFCCVEGCSA-N |