4,6-Dibromo-N,N'-bis[6-(pentanoylamino)pyrid-2-yl]isophthalamide | SBID = 1923 | 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: 6.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C28H30Br2N6O4
M / g/mol: 674.3836
Complexity:
Number of Conformers:

Identifiers

  • Tags: hamilton receptor, aromatic
  • Name: 4,6-Dibromo-N,N'-bis[6-(pentanoylamino)pyrid-2-yl]isophthalamide
  • Preferred Abbreviation: 4,6-Dibromo-N,N'-bis[6-(pentanoylamino)pyrid-2-yl]isophthalamide
  • IUPAC Name:
  • CAS:
  • CID: -830
  • InChiKey: HNWZVIQNFDIRAT-UHFFFAOYSA-N
  • InChi: InChI=1S/C28H30Br2N6O4/c1-3-5-13-25(37)33-21-9-7-11-23(31-21)35-27(39)17-15-18(20(30)16-19(17)29)28(40)36-24-12-8-10-22(32-24)34-26(38)14-6-4-2/h7-12,15-16H,3-6,13-14H2,1-2H3,(H2,31,33,35,37,39)(H2,32,34,36,38,40)
  • CanoSmiles: CCCCC(=O)Nc1cccc(n1)NC(=O)c1cc(C(=O)Nc2cccc(n2)NC(=O)CCCC)c(cc1Br)Br
  • IsoSmiles: CCCCC(=O)Nc3cccc(NC(=O)c2cc(C(=O)Nc1cccc(NC(=O)CCCC)n1)c(Br)cc2Br)n3