ChemSpider 2D Image | N-{2-[4-(3-Chlorophenyl)-1-piperazinyl]ethyl}-2-[(2E)-2-(4-methoxybenzylidene)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide | C30H31ClN4O4

N-{2-[4-(3-Chlorophenyl)-1-piperazinyl]ethyl}-2-[(2E)-2-(4-methoxybenzylidene)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide

  • Molecular FormulaC30H31ClN4O4
  • Average mass547.044 Da
  • Monoisotopic mass546.203369 Da
  • ChemSpider ID23018754

  • Double-bond stereo - Double-bond stereo

More details:

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

4H-1,4-Benzoxazine-4-acetamide, N-[2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl]-2,3-dihydro-2-[(4-methoxyphenyl)methylene]-3-oxo-, (2E)- [ACD/Index Name]
N-{2-[4-(3-Chlorophenyl)-1-piperazinyl]ethyl}-2-[(2E)-2-(4-methoxybenzylidene)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide [ACD/IUPAC Name]
N-{2-[4-(3-Chlorophényl)-1-pipérazinyl]éthyl}-2-[(2E)-2-(4-méthoxybenzylidène)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acétamide [French] [ACD/IUPAC Name]
N-{2-[4-(3-Chlorphenyl)-1-piperazinyl]ethyl}-2-[(2E)-2-(4-methoxybenzyliden)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamid [German] [ACD/IUPAC Name]
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-[(2E)-2-(4-methoxybenzylidene)-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 765.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 416.9±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 151.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 150.76
ACD/KOC (pH 5.5): 715.51
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1025.59
ACD/KOC (pH 7.4): 4867.59
Polar Surface Area: 74 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 423.9±3.0 cm3

Click to predict properties on the Chemicalize site


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