ChemSpider 2D Image | N-(2-Methoxyphenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-{[(2E)-3-phenyl-2-propenoyl]amino}benzamide | C34H32N4O4

N-(2-Methoxyphenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-{[(2E)-3-phenyl-2-propenoyl]amino}benzamide

  • Molecular FormulaC34H32N4O4
  • Average mass560.642 Da
  • Monoisotopic mass560.242371 Da
  • ChemSpider ID23016230

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzamide, N-(2-methoxyphenyl)-3-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)- [ACD/Index Name]
N-(2-Methoxyphenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-{[(2E)-3-phenyl-2-propenoyl]amino}benzamid [German] [ACD/IUPAC Name]
N-(2-Methoxyphenyl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-{[(2E)-3-phenyl-2-propenoyl]amino}benzamide [ACD/IUPAC Name]
N-(2-Méthoxyphényl)-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)-3-{[(2E)-3-phényl-2-propenoyl]amino}benzamide [French] [ACD/IUPAC Name]
N-(2-methoxyphenyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-{[(2E)-3-phenylprop-2-enoyl]amino}benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 801.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 438.8±34.3 °C
Index of Refraction: 1.699
Molar Refractivity: 160.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 752.81
ACD/KOC (pH 5.5): 3978.11
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 759.20
ACD/KOC (pH 7.4): 4011.85
Polar Surface Area: 91 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 68.8±5.0 dyne/cm
Molar Volume: 416.2±5.0 cm3

Click to predict properties on the Chemicalize site


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