1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F454-0021 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 322.32 |
| Molecular Formula: | C18 H14 N2 O4 |
| Smiles: | C1CC2=C(C=C(C#N)C(N2c2ccc3c(c2)OCCO3)=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7372 |
| logD: | 0.7372 |
| logSw: | -1.6422 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.459 |
| InChI Key: | AIBQCASRYPXRTI-UHFFFAOYSA-N |