Glycoluril dimer clip | SBID = 1904 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C26H24N8O4
M / g/mol: 512.51996
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical host
  • Name: Glycoluril dimer clip
  • Preferred Abbreviation: Glycoluril dimer clip
  • IUPAC Name:
  • CAS:
  • CID: -815
  • InChiKey: LNIHJOOGXBWJRC-UHFFFAOYSA-N
  • InChi: InChI=1S/C26H24N8O4/c35-23-27-9-15-5-1-2-6-16(15)10-28-19(27)21-31(23)13-33-22-20-29(25(33)37)11-17-7-3-4-8-18(17)12-30(20)26(38)34(22)14-32(21)24(28)36/h1-8,19-22H,9-14H2
  • CanoSmiles: O=C1N2CN3C4C5N(C3=O)Cc3c(CN5C(=O)N4CN4C2C2N1Cc1ccccc1CN2C4=O)cccc3
  • IsoSmiles: O=C(N1CC2=CC=CC=C2C3)N4C5C1N3C(N5CN(C(N6CC7=C8C=CC=C7)=O)C9C6N(C8)C(N9C4)=O)=O