ChemSpider 2D Image | 11-{2-[3-(Dimethylamino)-3-oxo-1-propen-1-yl]benzyl}-N-{3-[(2-hydroxyethyl)carbamoyl]benzyl}-9-oxo-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.0~2,6~.0~10,13~]tetradecane-13-carboxamide | C32H36N4O9

11-{2-[3-(Dimethylamino)-3-oxo-1-propen-1-yl]benzyl}-N-{3-[(2-hydroxyethyl)carbamoyl]benzyl}-9-oxo-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecane-13-carboxamide

  • Molecular FormulaC32H36N4O9
  • Average mass620.650 Da
  • Monoisotopic mass620.248230 Da
  • ChemSpider ID4240358

More details:






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

11-{2-[3-(Dimethylamino)-3-oxo-1-propen-1-yl]benzyl}-N-{3-[(2-hydroxyethyl)carbamoyl]benzyl}-9-oxo-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecan-13-carboxamid [German] [ACD/IUPAC Name]
11-{2-[3-(Dimethylamino)-3-oxo-1-propen-1-yl]benzyl}-N-{3-[(2-hydroxyethyl)carbamoyl]benzyl}-9-oxo-3,5,8,12-tetraoxa-11-azatetracyclo[5.5.2.02,6.010,13]tetradecane-13-carboxamide [ACD/IUPAC Name]
11-{2-[3-(Diméthylamino)-3-oxo-1-propén-1-yl]benzyl}-N-{3-[(2-hydroxyéthyl)carbamoyl]benzyl}-9-oxo-3,5,8,12-tétraoxa-11-azatétracyclo[5.5.2.02,6.010,13]tétradécane-13-carboxamide [French] [ACD/IUPAC Name]
5,3-(Epoxymethano)[1,3]dioxolo[4,5-g]-1,2-benzisoxazole-3a(4H)-carboxamide, 2-[[2-[3-(dimethylamino)-3-oxo-1-propen-1-yl]phenyl]methyl]hexahydro-N-[[3-[[(2-hydroxyethyl)amino]carbonyl]phenyl]methyl]-1 0-oxo- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 160.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.33
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.33
Polar Surface Area: 156 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 449.7±3.0 cm3

Click to predict properties on the Chemicalize site






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