1-(3,5-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(3,5-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(3,5-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F454-0089 |
| Compound Name: | 1-(3,5-dimethoxyphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 352.39 |
| Molecular Formula: | C20 H20 N2 O4 |
| Smiles: | CC1(C)CC2=C(C=C(C#N)C(N2c2cc(cc(c2)OC)OC)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6662 |
| logD: | 2.6662 |
| logSw: | -2.685 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.724 |
| InChI Key: | UOUUTCLFDYCDFM-UHFFFAOYSA-N |