[3-amino-4-cyano-5-ethoxy-5-oxo-N-(pyridin-2-yl-kappaN)pent-3-enimidato-kappaO](dibutyl)boron
Chemical Structure Depiction of
[3-amino-4-cyano-5-ethoxy-5-oxo-N-(pyridin-2-yl-kappaN)pent-3-enimidato-kappaO](dibutyl)boron
[3-amino-4-cyano-5-ethoxy-5-oxo-N-(pyridin-2-yl-kappaN)pent-3-enimidato-kappaO](dibutyl)boron
Compound characteristics
Compound ID: | 8008-3944 |
Compound Name: | [3-amino-4-cyano-5-ethoxy-5-oxo-N-(pyridin-2-yl-kappaN)pent-3-enimidato-kappaO](dibutyl)boron |
Molecular Weight: | 398.31 |
Molecular Formula: | C21 H31 B N4 O3 |
Smiles: | [B-]1(CCCC)(CCCC)[n+]2ccccc2N=C(C/C(=C(\C#N)C(=O)OCC)N)O1 |
Stereo: | ACHIRAL |
logP: | 4.3425 |
logD: | 4.3406 |
logSw: | -4.3356 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.869 |
InChI Key: | MOIZTTMWGKJOGC-UHFFFAOYSA-N |