(2-((((10-formylanthracen-9-yl)methyl)(methyl)amino)methyl)phenyl)boronic acid | SBID = 1371 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 4
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 2.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C24H22BNO3
M / g/mol: 383.24738
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, typical host
  • Name: (2-((((10-formylanthracen-9-yl)methyl)(methyl)amino)methyl)phenyl)boronic acid
  • Preferred Abbreviation: (2-((((10-formylanthracen-9-yl)methyl)(methyl)amino)methyl)phenyl)boronic acid
  • IUPAC Name:
  • CAS:
  • CID: -496
  • InChiKey: SZBLJPJRYKGBLY-UHFFFAOYSA-N
  • InChi: InChI=1S/C24H22BNO3/c1-26(14-17-8-2-7-13-24(17)25(28)29)15-22-18-9-3-5-11-20(18)23(16-27)21-12-6-4-10-19(21)22/h2-13,16,28-29H,14-15H2,1H3
  • CanoSmiles: O=Cc1c2ccccc2c(c2c1cccc2)CN(Cc1ccccc1B(O)O)C
  • IsoSmiles: CN(CC1=C(B(O)O)C=CC=C1)CC2=C(C=CC=C3)C3=C(C=O)C4=C2C=CC=C4