4-amino-6-[4-(benzyloxy)phenyl]spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
Chemical Structure Depiction of
4-amino-6-[4-(benzyloxy)phenyl]spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
4-amino-6-[4-(benzyloxy)phenyl]spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8017-6810 |
| Compound Name: | 4-amino-6-[4-(benzyloxy)phenyl]spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile |
| Molecular Weight: | 386.41 |
| Molecular Formula: | C22 H18 N4 O3 |
| Smiles: | C1COC2(C3(C#N)C(c4ccc(cc4)OCc4ccccc4)C3(C#N)C(N)=N2)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7342 |
| logD: | -0.4402 |
| logSw: | -2.9387 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.156 |
| InChI Key: | YCTIMKSFVNOLLE-UHFFFAOYSA-N |