2-[1-(benzylamino)-2,2-dicyanoethenyl]-3-(3-bromophenyl)cyclopropane-1,1,2-tricarbonitrile
Chemical Structure Depiction of
2-[1-(benzylamino)-2,2-dicyanoethenyl]-3-(3-bromophenyl)cyclopropane-1,1,2-tricarbonitrile
2-[1-(benzylamino)-2,2-dicyanoethenyl]-3-(3-bromophenyl)cyclopropane-1,1,2-tricarbonitrile
Compound characteristics
| Compound ID: | 8020-5859 |
| Compound Name: | 2-[1-(benzylamino)-2,2-dicyanoethenyl]-3-(3-bromophenyl)cyclopropane-1,1,2-tricarbonitrile |
| Molecular Weight: | 453.3 |
| Molecular Formula: | C23 H13 Br N6 |
| Smiles: | C(c1ccccc1)NC(=C(C#N)C#N)C1(C#N)C(c2cccc(c2)[Br])C1(C#N)C#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0075 |
| logD: | 3.2326 |
| logSw: | -4.2713 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.232 |
| InChI Key: | QMBWKOWKGCDLIX-UHFFFAOYSA-N |