N,N'-Bis[6-(2-ethylhexanoylamino)pyrid-2-yl]-5-nitroisophthalamide | SBID = 1927 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
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: C34H43N7O6
M / g/mol: 645.74852
Complexity:
Number of Conformers:

Identifiers

  • Tags: hamilton receptor, aromatic
  • Name: N,N'-Bis[6-(2-ethylhexanoylamino)pyrid-2-yl]-5-nitroisophthalamide
  • Preferred Abbreviation: 5-Nitro-N,N'-bis[6-(2-ethylhexanoylamino)pyrid-2-yl]isophthalamide
  • IUPAC Name:
  • CAS:
  • CID: -833
  • InChiKey: BQEPKPQDQYDOFP-UHFFFAOYSA-N
  • InChi: InChI=1S/C34H43N7O6/c1-5-9-13-22(7-3)31(42)37-27-15-11-17-29(35-27)39-33(44)24-19-25(21-26(20-24)41(46)47)34(45)40-30-18-12-16-28(36-30)38-32(43)23(8-4)14-10-6-2/h11-12,15-23H,5-10,13-14H2,1-4H3,(H2,35,37,39,42,44)(H2,36,38,40,43,45)
  • CanoSmiles: CCCCC(C(=O)Nc1cccc(n1)NC(=O)c1cc(cc(c1)N(=O)=O)C(=O)Nc1cccc(n1)NC(=O)C(CCCC)CC)CC
  • IsoSmiles: CCCCC(CC)C(=O)Nc3cccc(NC(=O)c2cc(C(=O)Nc1cccc(NC(=O)C(CC)CCCC)n1)cc(N(=O)=O)c2)n3