ChemSpider 2D Image | N-[5-{[2-(1-Cyclohexen-1-yl)ethyl]carbamoyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-3,4,5-trimethoxybenzamide | C36H42N4O6

N-[5-{[2-(1-Cyclohexen-1-yl)ethyl]carbamoyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl]-3,4,5-trimethoxybenzamide

  • Molecular FormulaC36H42N4O6
  • Average mass626.742 Da
  • Monoisotopic mass626.310425 Da
  • ChemSpider ID22474652

More details:

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

Benzamide, N-[5-[[[2-(1-cyclohexen-1-yl)ethyl]amino]carbonyl]-2-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]-3,4,5-trimethoxy- [ACD/Index Name]
N-[5-{[2-(1-Cyclohexen-1-yl)ethyl]carbamoyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl]-3,4,5-trimethoxybenzamid [German] [ACD/IUPAC Name]
N-[5-{[2-(1-Cyclohexen-1-yl)ethyl]carbamoyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl]-3,4,5-trimethoxybenzamide [ACD/IUPAC Name]
N-[5-{[2-(1-Cyclohexén-1-yl)éthyl]carbamoyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)phényl]-3,4,5-triméthoxybenzamide [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: 800.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 437.7±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 174.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 553.61
ACD/KOC (pH 5.5): 3198.93
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 554.42
ACD/KOC (pH 7.4): 3203.59
Polar Surface Area: 109 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 478.4±5.0 cm3

Click to predict properties on the Chemicalize site


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