{N-[2-acetyl-1-(amino-kappaN)-5-(dimethylamino)-3-(oxo-kappaO)penta-1,4-dien-1-yl]benzamidato}(diphenyl)boron
Chemical Structure Depiction of
{N-[2-acetyl-1-(amino-kappaN)-5-(dimethylamino)-3-(oxo-kappaO)penta-1,4-dien-1-yl]benzamidato}(diphenyl)boron
{N-[2-acetyl-1-(amino-kappaN)-5-(dimethylamino)-3-(oxo-kappaO)penta-1,4-dien-1-yl]benzamidato}(diphenyl)boron
Compound characteristics
| Compound ID: | 6208-0146 |
| Compound Name: | {N-[2-acetyl-1-(amino-kappaN)-5-(dimethylamino)-3-(oxo-kappaO)penta-1,4-dien-1-yl]benzamidato}(diphenyl)boron |
| Molecular Weight: | 465.36 |
| Molecular Formula: | C28 H28 B N3 O3 |
| Smiles: | [B-]1(c2ccccc2)(c2ccccc2)NC(=C(C(C)=O)C(/C=C/N(C)C)=[O+]1)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3834 |
| logD: | 4.291 |
| logSw: | -4.2928 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.676 |
| InChI Key: | CZDKDAOYZNAARX-UHFFFAOYSA-N |