7-[4-(methoxycarbonyl)phenyl]-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
7-[4-(methoxycarbonyl)phenyl]-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
7-[4-(methoxycarbonyl)phenyl]-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | 8019-8088 |
| Compound Name: | 7-[4-(methoxycarbonyl)phenyl]-5-oxo-3-phenyl-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 407.44 |
| Molecular Formula: | C22 H17 N O5 S |
| Smiles: | COC(c1ccc(cc1)C1CC(Nc2c(c3ccccc3)c(C(O)=O)sc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5329 |
| logD: | 1.7329 |
| logSw: | -3.8659 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.864 |
| InChI Key: | BCTJATUOKUUBAG-OAHLLOKOSA-N |