ChemSpider 2D Image | N-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethyl]-4-{(E)-[4-(4-methylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide | C34H30N2O5

N-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethyl]-4-{(E)-[4-(4-methylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide

  • Molecular FormulaC34H30N2O5
  • Average mass546.612 Da
  • Monoisotopic mass546.215454 Da
  • ChemSpider ID23017951

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzamide, N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(E)-[3,4-dihydro-4-[(4-methylphenyl)methyl]-3-oxo-2H-1,4-benzoxazin-2-ylidene]methyl]- [ACD/Index Name]
N-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethyl]-4-{(E)-[4-(4-methylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yliden]methyl}benzamid [German] [ACD/IUPAC Name]
N-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethyl]-4-{(E)-[4-(4-methylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide [ACD/IUPAC Name]
N-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)éthyl]-4-{(E)-[4-(4-méthylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidène]méthyl}benzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 746.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.1±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 157.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4518.49
ACD/KOC (pH 5.5): 14382.57
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4518.51
ACD/KOC (pH 7.4): 14382.63
Polar Surface Area: 77 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 424.4±3.0 cm3

Click to predict properties on the Chemicalize site


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