methyl 4-[3-(4-chlorobenzene-1-sulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-(4-chlorobenzene-1-sulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoate
methyl 4-[3-(4-chlorobenzene-1-sulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoate
Compound characteristics
Compound ID: | 8019-3752 |
Compound Name: | methyl 4-[3-(4-chlorobenzene-1-sulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzoate |
Molecular Weight: | 461.94 |
Molecular Formula: | C21 H16 Cl N O5 S2 |
Smiles: | COC(c1ccc(cc1)C1CC(Nc2c(csc12)S(c1ccc(cc1)[Cl])(=O)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.9405 |
logD: | 3.9405 |
logSw: | -4.7641 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.229 |
InChI Key: | IEERLFNKXWLHIM-INIZCTEOSA-N |