7,7-dimethyl-5-oxo-2-sulfanylidene-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
7,7-dimethyl-5-oxo-2-sulfanylidene-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
7,7-dimethyl-5-oxo-2-sulfanylidene-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | C202-3257 |
| Compound Name: | 7,7-dimethyl-5-oxo-2-sulfanylidene-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 232.3 |
| Molecular Formula: | C12 H12 N2 O S |
| Smiles: | CC1(C)CC2=C(C=C(C#N)C(N2)=S)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8068 |
| logD: | -3.8048 |
| logSw: | -2.4938 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.309 |
| InChI Key: | ZVBVJGPOTJDKCP-UHFFFAOYSA-N |