7-(3-bromophenyl)-3-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
7-(3-bromophenyl)-3-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
7-(3-bromophenyl)-3-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0526 |
| Compound Name: | 7-(3-bromophenyl)-3-(4-methoxyphenyl)-5-oxo-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)c1c2c(C(CC(N2)=O)c2cccc(c2)[Br])sc1C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4126 |
| logD: | 2.6126 |
| logSw: | -4.3874 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.234 |
| InChI Key: | DHQAEBRDGIHBSP-OAHLLOKOSA-N |