4-[3-(4-methylbenzene-1-sulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzonitrile
Chemical Structure Depiction of
4-[3-(4-methylbenzene-1-sulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzonitrile
4-[3-(4-methylbenzene-1-sulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzonitrile
Compound characteristics
| Compound ID: | D563-0226 |
| Compound Name: | 4-[3-(4-methylbenzene-1-sulfonyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridin-7-yl]benzonitrile |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C21 H16 N2 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(c1csc2C(CC(Nc12)=O)c1ccc(C#N)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3329 |
| logD: | 3.3328 |
| logSw: | -3.6283 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.111 |
| InChI Key: | QBPCAVLCMVGURK-KRWDZBQOSA-N |