4-amino-6-(3,4,5-trimethoxyphenyl)spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
Chemical Structure Depiction of
4-amino-6-(3,4,5-trimethoxyphenyl)spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
4-amino-6-(3,4,5-trimethoxyphenyl)spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8018-4694 |
| Compound Name: | 4-amino-6-(3,4,5-trimethoxyphenyl)spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile |
| Molecular Weight: | 370.36 |
| Molecular Formula: | C18 H18 N4 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)C1C2(C#N)C(N)=NC3(C12C#N)OCCO3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0193 |
| logD: | -2.1551 |
| logSw: | -1.566 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.906 |
| InChI Key: | VSRDQHXHHJCZMQ-UHFFFAOYSA-N |