7-(3-bromo-4-methoxyphenyl)-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
7-(3-bromo-4-methoxyphenyl)-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
7-(3-bromo-4-methoxyphenyl)-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | 8019-5135 |
| Compound Name: | 7-(3-bromo-4-methoxyphenyl)-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 458.33 |
| Molecular Formula: | C21 H16 Br N O4 S |
| Smiles: | COc1ccc(cc1[Br])C1CC(Nc2c(c3ccccc3)c(C(O)=O)sc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8979 |
| logD: | 2.0979 |
| logSw: | -4.2175 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.321 |
| InChI Key: | XPSANWSPTVBACV-CYBMUJFWSA-N |