methyl 4-[3-(benzenesulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-(benzenesulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoate
methyl 4-[3-(benzenesulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoate
Compound characteristics
Compound ID: | D563-0082 |
Compound Name: | methyl 4-[3-(benzenesulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoate |
Molecular Weight: | 427.5 |
Molecular Formula: | C21 H17 N O5 S2 |
Smiles: | COC(c1ccc(cc1)C1CC(Nc2c(csc12)S(c1ccccc1)(=O)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.1608 |
logD: | 3.1607 |
logSw: | -3.385 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.229 |
InChI Key: | XNZJQVSNKHJMSK-INIZCTEOSA-N |