7,7-dimethyl-2-oxo-1,5,7,8-tetrahydro-2H-thiopyrano[4,3-b]pyridine-3-carbonitrile
Chemical Structure Depiction of
7,7-dimethyl-2-oxo-1,5,7,8-tetrahydro-2H-thiopyrano[4,3-b]pyridine-3-carbonitrile
7,7-dimethyl-2-oxo-1,5,7,8-tetrahydro-2H-thiopyrano[4,3-b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-8767 |
| Compound Name: | 7,7-dimethyl-2-oxo-1,5,7,8-tetrahydro-2H-thiopyrano[4,3-b]pyridine-3-carbonitrile |
| Molecular Weight: | 220.29 |
| Molecular Formula: | C11 H12 N2 O S |
| Smiles: | CC1(C)CC2=C(CS1)C=C(C#N)C(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.843 |
| logD: | 0.4719 |
| logSw: | -2.4352 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.143 |
| InChI Key: | OMJFDJDPDHDWIY-UHFFFAOYSA-N |