7-(3-bromo-4-methoxyphenyl)-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-methoxyphenyl)-3-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
7-(3-bromo-4-methoxyphenyl)-3-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-1008 |
| Compound Name: | 7-(3-bromo-4-methoxyphenyl)-3-(3-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 476.32 |
| Molecular Formula: | C21 H15 Br F N O4 S |
| Smiles: | COc1ccc(cc1[Br])C1CC(Nc2c(c3cccc(c3)F)c(C(O)=O)sc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9011 |
| logD: | 2.1011 |
| logSw: | -4.2458 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.321 |
| InChI Key: | YBQHSICJXBOBEG-CYBMUJFWSA-N |