(2-(2-(2-(2-(4-(pyridine-2-yl)-1H-1,2,3-triazole-1-yl)ethoxy)ethoxy)ethoxy)ethan-1-ol) | SBID = 2441 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 63.52
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 1.73
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: C15H22Cl2N4O4Pt
M / g/mol: 593.12
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: (2-(2-(2-(2-(4-(pyridine-2-yl)-1H-1,2,3-triazole-1-yl)ethoxy)ethoxy)ethoxy)ethan-1-ol)
  • Preferred Abbreviation: PtC
  • IUPAC Name:
  • CAS:
  • CID: -1042
  • InChiKey: BEFPIDGHGGBFIE-UHFFFAOYSA-L
  • InChi: InChI=1S/C15H22N4O4.2ClH.Pt/c20-6-8-22-10-12-23-11-9-21-7-5-19-13-15(17-18-19)14-3-1-2-4-16-14;;;/h1-4,13,20H,5-12H2;2*1H;/q;;;+2/p-2
  • CanoSmiles: OCCOCCOCCOCCN1C=C2[N](=N1)[Pt]([N]1=C2C=CC=C1)(Cl)Cl
  • IsoSmiles: Cl[Pt]1([N]2=NN(C=C2C3=[N]1C=CC=C3)CCOCCOCCOCCO)Cl