1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxo-7-phenyl-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-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
Compound ID: | F454-0170 |
Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxo-7-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
Molecular Weight: | 398.42 |
Molecular Formula: | C24 H18 N2 O4 |
Smiles: | C1C(CC(C2C=C(C#N)C(N(C1=2)c1ccc2c(c1)OCCO2)=O)=O)c1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.4737 |
logD: | 2.4737 |
logSw: | -3.0208 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 61.188 |
InChI Key: | IYLWWRBVIOKKOO-INIZCTEOSA-N |