[3-amino-7-(dimethylamino)-4-[1-(hydroxy-kappaO)ethylidene]-5-(oxo-kappaO)hepta-2,6-dienenitrilato](diphenyl)boron
Chemical Structure Depiction of
[3-amino-7-(dimethylamino)-4-[1-(hydroxy-kappaO)ethylidene]-5-(oxo-kappaO)hepta-2,6-dienenitrilato](diphenyl)boron
[3-amino-7-(dimethylamino)-4-[1-(hydroxy-kappaO)ethylidene]-5-(oxo-kappaO)hepta-2,6-dienenitrilato](diphenyl)boron
Compound characteristics
| Compound ID: | 8008-0581 |
| Compound Name: | [3-amino-7-(dimethylamino)-4-[1-(hydroxy-kappaO)ethylidene]-5-(oxo-kappaO)hepta-2,6-dienenitrilato](diphenyl)boron |
| Molecular Weight: | 385.27 |
| Molecular Formula: | C23 H24 B N3 O2 |
| Smiles: | [B-]1(c2ccccc2)(c2ccccc2)OC(C)=C(/C(=C\C#N)N)C(/C=C/N(C)C)=[O+]1 |
| Stereo: | ACHIRAL |
| logP: | 3.6931 |
| logD: | 3.687 |
| logSw: | -4.011 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.076 |
| InChI Key: | WCEHBPUBCACZDZ-UHFFFAOYSA-N |