7,7-dimethyl-1-(3-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
7,7-dimethyl-1-(3-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
7,7-dimethyl-1-(3-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F454-0057 |
| Compound Name: | 7,7-dimethyl-1-(3-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 306.36 |
| Molecular Formula: | C19 H18 N2 O2 |
| Smiles: | Cc1cccc(c1)N1C2CC(C)(C)CC(C=2C=C(C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7654 |
| logD: | 2.7654 |
| logSw: | -2.9171 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.636 |
| InChI Key: | DWLULWJRFLMZEA-UHFFFAOYSA-N |