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7-(diethylamino)-N-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-2-oxo-2H-chromene-3-carboxamide | SBID = 52 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge:
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C18H24N2O6
M / g/mol: 364.4
Complexity:
Number of Conformers:

Identifiers

  • Tags: dye
  • Name: 7-(diethylamino)-N-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-2-oxo-2H-chromene-3-carboxamide
  • Preferred Abbreviation: 7-(diethylamino)-N-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-2-oxo-2H-chromene-3-carboxamide
  • IUPAC Name: 7-(diethylamino)-N-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl)-2-oxo-2H-chromene-3-carboxamide
  • CAS:
  • CID: -4
  • InChiKey: YGMFXQGOHXJXGN-UHFFFAOYSA-N
  • InChi: InChI=1S/C18H24N2O6/c1-3-20(4-2)13-6-5-12-7-14(17(25)26-15(12)8-13)16(24)19-18(9-21,10-22)11-23/h5-8,21-23H,3-4,9-11H2,1-2H3,(H,19,24)
  • CanoSmiles: OCC(CO)(CO)NC(C1=CC2=CC=C(N(CC)CC)C=C2OC1=O)=O
  • IsoSmiles: OCC(CO)(CO)NC(C1=CC2=CC=C(N(CC)CC)C=C2OC1=O)=O