3-(4-methoxyphenyl)-7-[4-(methylsulfanyl)phenyl]-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Chemical Structure Depiction of
3-(4-methoxyphenyl)-7-[4-(methylsulfanyl)phenyl]-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
3-(4-methoxyphenyl)-7-[4-(methylsulfanyl)phenyl]-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Compound characteristics
| Compound ID: | D562-0483 |
| Compound Name: | 3-(4-methoxyphenyl)-7-[4-(methylsulfanyl)phenyl]-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid |
| Molecular Weight: | 425.52 |
| Molecular Formula: | C22 H19 N O4 S2 |
| Smiles: | COc1ccc(cc1)c1c2c(C(CC(N2)=O)c2ccc(cc2)SC)sc1C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2489 |
| logD: | 2.4489 |
| logSw: | -4.4076 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.234 |
| InChI Key: | JVITVRANZAKABB-MRXNPFEDSA-N |