{methyl 4-[3-{bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}-2-(hydroxy-kappaO)propoxy]benzoatato(3-)}boron
Chemical Structure Depiction of
{methyl 4-[3-{bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}-2-(hydroxy-kappaO)propoxy]benzoatato(3-)}boron
{methyl 4-[3-{bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}-2-(hydroxy-kappaO)propoxy]benzoatato(3-)}boron
Compound characteristics
| Compound ID: | 5267-1862 |
| Compound Name: | {methyl 4-[3-{bis[2-(hydroxy-kappaO)ethyl]amino-kappaN}-2-(hydroxy-kappaO)propoxy]benzoatato(3-)}boron |
| Molecular Weight: | 321.14 |
| Molecular Formula: | C15 H20 B N O6 |
| Smiles: | [B-]123[N+](CCO1)(CCO2)CC(COc1ccc(cc1)C(=O)OC)O3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.248 |
| logD: | 1.248 |
| logSw: | -1.7105 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.233 |
| InChI Key: | UMTBRFLKBSGDRJ-ODIFPOPNSA-N |