3-(3-bromophenyl)-2-{2,2-dicyano-1-[(propan-2-yl)amino]ethenyl}cyclopropane-1,1,2-tricarbonitrile
Chemical Structure Depiction of
3-(3-bromophenyl)-2-{2,2-dicyano-1-[(propan-2-yl)amino]ethenyl}cyclopropane-1,1,2-tricarbonitrile
3-(3-bromophenyl)-2-{2,2-dicyano-1-[(propan-2-yl)amino]ethenyl}cyclopropane-1,1,2-tricarbonitrile
Compound characteristics
| Compound ID: | 8020-5857 |
| Compound Name: | 3-(3-bromophenyl)-2-{2,2-dicyano-1-[(propan-2-yl)amino]ethenyl}cyclopropane-1,1,2-tricarbonitrile |
| Molecular Weight: | 405.25 |
| Molecular Formula: | C19 H13 Br N6 |
| Smiles: | CC(C)NC(=C(C#N)C#N)C1(C#N)C(c2cccc(c2)[Br])C1(C#N)C#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4592 |
| logD: | 3.4493 |
| logSw: | -3.6592 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.478 |
| InChI Key: | JHTOBOLMISIACT-UHFFFAOYSA-N |