7,8,10,11,13,14,21,22,24,25,27,28-DODECAHYDROBENZO[14,15][1,4,7,10,13,16,19,22]OCTAOXACYCLOTETRACOSINO[2,3-B]QUINOXALINE | SBID = 2687 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 4
PubChem TPSA/Å2:
Ertl TPSA/Å2: 99.62
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 2.64
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C26H32N2O8
M / g/mol: 500.54088
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: 7,8,10,11,13,14,21,22,24,25,27,28-DODECAHYDROBENZO[14,15][1,4,7,10,13,16,19,22]OCTAOXACYCLOTETRACOSINO[2,3-B]QUINOXALINE
  • Preferred Abbreviation: 24-crown-8 derivative
  • IUPAC Name:
  • CAS:
  • CID: -1197
  • InChiKey: UQCNQQPKEMMQMJ-UHFFFAOYSA-N
  • InChi: InChI=1S/C26H32N2O8/c1-2-6-22-21(5-1)27-25-26(28-22)36-20-16-32-12-10-30-14-18-34-24-8-4-3-7-23(24)33-17-13-29-9-11-31-15-19-35-25/h1-8H,9-20H2
  • CanoSmiles: C1COCCOc2ccccc2OCCOCCOCCOc2c(OCCO1)nc1ccccc1n2
  • IsoSmiles: C1(C=CC=C2)=C2OCCOCCOCCOC(N=C(C=CC=C3)C3=N4)=C4OCCOCCOCCO1