1-(3,4-dimethylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(3,4-dimethylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F454-0004 |
| Compound Name: | 1-(3,4-dimethylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 292.34 |
| Molecular Formula: | C18 H16 N2 O2 |
| Smiles: | Cc1ccc(cc1C)N1C2CCCC(C=2C=C(C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7745 |
| logD: | 2.7745 |
| logSw: | -2.9417 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.636 |
| InChI Key: | WBOJFULTJUVSJQ-UHFFFAOYSA-N |