1-(3,5-dimethoxyphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(3,5-dimethoxyphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(3,5-dimethoxyphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F454-0039 |
| Compound Name: | 1-(3,5-dimethoxyphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 324.33 |
| Molecular Formula: | C18 H16 N2 O4 |
| Smiles: | COc1cc(cc(c1)OC)N1C2CCCC(C=2C=C(C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0412 |
| logD: | 2.0412 |
| logSw: | -2.14 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.724 |
| InChI Key: | RSJZXTYJBYFYBM-UHFFFAOYSA-N |