ChemSpider 2D Image | (3E,7E,11E)-1-{[1-(2-{3-Hydroxy-4-[(2E)-3-{4-methoxy-3-[3-(4-morpholinyl)propoxy]phenyl}-2-propenoyl]phenoxy}ethyl)-1H-1,2,3-triazol-4-yl]methyl}-5,5,8,12-tetramethylazacyclododeca-3,7,11-trien-2-one | C43H55N5O7

(3E,7E,11E)-1-{[1-(2-{3-Hydroxy-4-[(2E)-3-{4-methoxy-3-[3-(4-morpholinyl)propoxy]phenyl}-2-propenoyl]phenoxy}ethyl)-1H-1,2,3-triazol-4-yl]methyl}-5,5,8,12-tetramethylazacyclododeca-3,7,11-trien-2-one

  • Molecular FormulaC43H55N5O7
  • Average mass753.926 Da
  • Monoisotopic mass753.410156 Da
  • ChemSpider ID58931591
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E,7E,11E)-1-{[1-(2-{3-Hydroxy-4-[(2E)-3-{4-methoxy-3-[3-(4-morpholinyl)propoxy]phenyl}-2-propenoyl]phenoxy}ethyl)-1H-1,2,3-triazol-4-yl]methyl}-5,5,8,12-tetramethylazacyclododeca-3,7,11-trien-2-on [German] [ACD/IUPAC Name]
(3E,7E,11E)-1-{[1-(2-{3-Hydroxy-4-[(2E)-3-{4-methoxy-3-[3-(4-morpholinyl)propoxy]phenyl}-2-propenoyl]phenoxy}ethyl)-1H-1,2,3-triazol-4-yl]methyl}-5,5,8,12-tetramethylazacyclododeca-3,7,11-trien-2-one [ACD/IUPAC Name]
(3E,7E,11E)-1-{[1-(2-{3-Hydroxy-4-[(2E)-3-{4-méthoxy-3-[3-(4-morpholinyl)propoxy]phényl}-2-propenoyl]phénoxy}éthyl)-1H-1,2,3-triazol-4-yl]méthyl}-5,5,8,12-tétraméthylazacyclododéca-3,7,11-trién-2-one [French] [ACD/IUPAC Name]
Azacyclododeca-3,7,11-trien-2-one, 1-[[1-[2-[3-hydroxy-4-[(2E)-3-[4-methoxy-3-[3-(4-morpholinyl)propoxy]phenyl]-1-oxo-2-propen-1-yl]phenoxy]ethyl]-1H-1,2,3-triazol-4-yl]methyl]-5,5,8,12-tetramethyl-, (3E,7E,11E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 921.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.6±3.0 kJ/mol
Flash Point: 511.0±37.1 °C
Index of Refraction: 1.581
Molar Refractivity: 213.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 7.94
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 745.12
ACD/KOC (pH 5.5): 1357.40
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 7941.71
ACD/KOC (pH 7.4): 14467.62
Polar Surface Area: 128 Å2
Polarizability: 84.7±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 640.8±7.0 cm3

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