5-oxo-3-phenyl-7-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
5-oxo-3-phenyl-7-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
5-oxo-3-phenyl-7-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0083 |
| Compound Name: | 5-oxo-3-phenyl-7-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C23 H21 N O3 S |
| Smiles: | CC(C)c1ccc(cc1)C1CC(Nc2c(c3ccccc3)c(C(O)=O)sc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7804 |
| logD: | 2.9803 |
| logSw: | -4.4626 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.691 |
| InChI Key: | ZZKDIEPIGFJLBZ-QGZVFWFLSA-N |