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 |