ChemSpider 2D Image | N-[2-(4-Chlorophenyl)ethyl]-4-{(E)-[4-(4-methylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide | C32H27ClN2O3

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

  • Molecular FormulaC32H27ClN2O3
  • Average mass523.021 Da
  • Monoisotopic mass522.171021 Da
  • ChemSpider ID23017987

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzamide, N-[2-(4-chlorophenyl)ethyl]-4-[(E)-[3,4-dihydro-4-[(4-methylphenyl)methyl]-3-oxo-2H-1,4-benzoxazin-2-ylidene]methyl]- [ACD/Index Name]
N-[2-(4-Chlorophenyl)ethyl]-4-{(E)-[4-(4-methylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}benzamide [ACD/IUPAC Name]
N-[2-(4-Chlorophényl)éthyl]-4-{(E)-[4-(4-méthylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidène]méthyl}benzamide [French] [ACD/IUPAC Name]
N-[2-(4-Chlorphenyl)ethyl]-4-{(E)-[4-(4-methylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yliden]methyl}benzamid [German] [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: 722.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.4±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 151.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 14011.20
ACD/KOC (pH 5.5): 32332.11
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 14011.28
ACD/KOC (pH 7.4): 32332.29
Polar Surface Area: 59 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 406.7±3.0 cm3

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