5-Benzoyloxy-N,N'-bis[6-(pentanoylamino)pyrid-2-yl]isophthalamide | SBID = 1930 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 4.0
Number of H-Bond Acceptors: 8.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C35H36N6O6
M / g/mol: 636.69694
Complexity:
Number of Conformers:

Identifiers

  • Tags: hamilton receptor, aromatic
  • Name: 5-Benzoyloxy-N,N'-bis[6-(pentanoylamino)pyrid-2-yl]isophthalamide
  • Preferred Abbreviation: 5-Benzoyloxy-N,N'-bis[6-(pentanoylamino)pyrid-2-yl]isophthalamide
  • IUPAC Name:
  • CAS:
  • CID: -835
  • InChiKey: RXZZGCNUVLUSGQ-UHFFFAOYSA-N
  • InChi: InChI=1S/C35H36N6O6/c1-3-5-18-31(42)38-27-14-10-16-29(36-27)40-33(44)24-20-25(22-26(21-24)47-35(46)23-12-8-7-9-13-23)34(45)41-30-17-11-15-28(37-30)39-32(43)19-6-4-2/h7-17,20-22H,3-6,18-19H2,1-2H3,(H2,36,38,40,42,44)(H2,37,39,41,43,45)
  • CanoSmiles: CCCCC(=O)Nc1cccc(n1)NC(=O)c1cc(OC(=O)c2ccccc2)cc(c1)C(=O)Nc1cccc(n1)NC(=O)CCCC
  • IsoSmiles: CCCCC(=O)Nc4cccc(NC(=O)c3cc(OC(=O)c1ccccc1)cc(C(=O)Nc2cccc(NC(=O)CCCC)n2)c3)n4