ChemSpider 2D Image | N-Butyl-N'-[6-(4-{(2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-2,4-pentadien-1-yl}-1H-1,2,3-triazol-1-yl)hexyl]succinamide | C38H49N5O8

N-Butyl-N'-[6-(4-{(2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-2,4-pentadien-1-yl}-1H-1,2,3-triazol-1-yl)hexyl]succinamide

  • Molecular FormulaC38H49N5O8
  • Average mass703.824 Da
  • Monoisotopic mass703.358093 Da
  • ChemSpider ID26350634

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Butanediamide, N1-butyl-N4-[6-[4-[(2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-2,4-pentadien-1-yl]-1H-1,2,3-triazol-1-yl]hexyl]- [ACD/Index Name]
N-Butyl-N'-[6-(4-{(2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-2,4-pentadien-1-yl}-1H-1,2,3-triazol-1-yl)hexyl]succinamid [German] [ACD/IUPAC Name]
N-Butyl-N'-[6-(4-{(2Z,4E)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-2,4-pentadien-1-yl}-1H-1,2,3-triazol-1-yl)hexyl]succinamide [ACD/IUPAC Name]
N-Butyl-N'-[6-(4-{(2Z,4E)-3-hydroxy-5-(4-hydroxy-3-méthoxyphényl)-2-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-2,4-pentadién-1-yl}-1H-1,2,3-triazol-1-yl)hexyl]succinamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1253577/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 193.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.77
ACD/KOC (pH 5.5): 910.37
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 81.85
ACD/KOC (pH 7.4): 778.09
Polar Surface Area: 185 Å2
Polarizability: 76.7±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 580.8±7.0 cm3

Click to predict properties on the Chemicalize site


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