7-(3-chlorophenyl)-3-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
7-(3-chlorophenyl)-3-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
7-(3-chlorophenyl)-3-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0530 |
| Compound Name: | 7-(3-chlorophenyl)-3-(4-methoxyphenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 413.88 |
| Molecular Formula: | C21 H16 Cl N O4 S |
| Smiles: | COc1ccc(cc1)c1c2c(C(CC(N2)=O)c2cccc(c2)[Cl])sc1C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1693 |
| logD: | 2.3692 |
| logSw: | -4.5315 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.234 |
| InChI Key: | KXLHQHSRUMQGJZ-OAHLLOKOSA-N |