rel-(1R,5S,6S)-2-(dicyanomethylidene)-4-imino-6-(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,5S,6S)-2-(dicyanomethylidene)-4-imino-6-(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
rel-(1R,5S,6S)-2-(dicyanomethylidene)-4-imino-6-(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-7793 |
| Compound Name: | rel-(1R,5S,6S)-2-(dicyanomethylidene)-4-imino-6-(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile |
| Molecular Weight: | 374.36 |
| Molecular Formula: | C19 H14 N6 O3 |
| Smiles: | COc1cc(cc(c1OC)OC)[C@@H]1[C@@]2(C#N)C(=C(C#N)C#N)NC([C@@]12C#N)=N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2135 |
| logD: | 1.2135 |
| logSw: | -1.9875 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.096 |
| InChI Key: | YNFJPQXKUNZAME-XSFKQQOJSA-N |