1-(3-chloro-4-methoxyphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(3-chloro-4-methoxyphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(3-chloro-4-methoxyphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F454-0038 |
| Compound Name: | 1-(3-chloro-4-methoxyphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 328.75 |
| Molecular Formula: | C17 H13 Cl N2 O3 |
| Smiles: | COc1ccc(cc1[Cl])N1C2CCCC(C=2C=C(C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0172 |
| logD: | 2.0172 |
| logSw: | -2.8794 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.266 |
| InChI Key: | CFBWNZVHEZCETK-UHFFFAOYSA-N |