ChemSpider 2D Image | N-Allyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N-phenyl-3-[(3,4,5-trimethoxybenzoyl)amino]benzamide | C37H38N4O6

N-Allyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-N-phenyl-3-[(3,4,5-trimethoxybenzoyl)amino]benzamide

  • Molecular FormulaC37H38N4O6
  • Average mass634.721 Da
  • Monoisotopic mass634.279114 Da
  • ChemSpider ID22474677

More details:

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

Benzamide, N-phenyl-N-2-propen-1-yl-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[(3,4,5-trimethoxybenzoyl)amino]- [ACD/Index Name]
N-Allyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-N-phenyl-3-[(3,4,5-trimethoxybenzoyl)amino]benzamid [German] [ACD/IUPAC Name]
N-Allyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-N-phenyl-3-[(3,4,5-trimethoxybenzoyl)amino]benzamide [ACD/IUPAC Name]
N-Allyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)-N-phényl-3-[(3,4,5-triméthoxybenzoyl)amino]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: 807.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.5±3.0 kJ/mol
Flash Point: 442.4±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 178.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 193.29
ACD/KOC (pH 5.5): 1506.79
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 193.33
ACD/KOC (pH 7.4): 1507.11
Polar Surface Area: 101 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 476.0±5.0 cm3

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