2-amino-1'-benzyl-4,4-dimethoxy-2'-oxo-1',2'-dihydrospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile
Chemical Structure Depiction of
2-amino-1'-benzyl-4,4-dimethoxy-2'-oxo-1',2'-dihydrospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile
2-amino-1'-benzyl-4,4-dimethoxy-2'-oxo-1',2'-dihydrospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8018-7725 |
| Compound Name: | 2-amino-1'-benzyl-4,4-dimethoxy-2'-oxo-1',2'-dihydrospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile |
| Molecular Weight: | 413.43 |
| Molecular Formula: | C23 H19 N5 O3 |
| Smiles: | COC1(C2(C#N)C(C#N)(C(N)=N1)C21C(N(Cc2ccccc2)c2ccccc12)=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5079 |
| logD: | 1.543 |
| logSw: | -2.8224 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.647 |
| InChI Key: | ZAOBHYPQBJKYOM-UHFFFAOYSA-N |