2-{2,2-dicyano-1-[(propan-2-yl)amino]ethenyl}-3-(3-nitrophenyl)cyclopropane-1,1,2-tricarbonitrile
Chemical Structure Depiction of
2-{2,2-dicyano-1-[(propan-2-yl)amino]ethenyl}-3-(3-nitrophenyl)cyclopropane-1,1,2-tricarbonitrile
2-{2,2-dicyano-1-[(propan-2-yl)amino]ethenyl}-3-(3-nitrophenyl)cyclopropane-1,1,2-tricarbonitrile
Compound characteristics
| Compound ID: | 8020-5860 |
| Compound Name: | 2-{2,2-dicyano-1-[(propan-2-yl)amino]ethenyl}-3-(3-nitrophenyl)cyclopropane-1,1,2-tricarbonitrile |
| Molecular Weight: | 371.36 |
| Molecular Formula: | C19 H13 N7 O2 |
| Smiles: | CC(C)NC(=C(C#N)C#N)C1(C#N)C(c2cccc(c2)[N+]([O-])=O)C1(C#N)C#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4853 |
| logD: | 2.4754 |
| logSw: | -2.78 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 129.859 |
| InChI Key: | BEFGDEWGNRZEOL-UHFFFAOYSA-N |