1-(4-acetylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(4-acetylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(4-acetylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F454-0063 |
| Compound Name: | 1-(4-acetylphenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 334.37 |
| Molecular Formula: | C20 H18 N2 O3 |
| Smiles: | CC(c1ccc(cc1)N1C2CC(C)(C)CC(C=2C=C(C#N)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.809 |
| logD: | 1.809 |
| logSw: | -2.0973 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.463 |
| InChI Key: | LLEDXLVLECHSIY-UHFFFAOYSA-N |