ChemSpider 2D Image | N-(3,4-Dimethoxyphenyl)-3-{[4-(2-methyl-2-propanyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide | C37H40N4O5

N-(3,4-Dimethoxyphenyl)-3-{[4-(2-methyl-2-propanyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide

  • Molecular FormulaC37H40N4O5
  • Average mass620.737 Da
  • Monoisotopic mass620.299866 Da
  • ChemSpider ID22474872

More details:

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

Benzamide, N-(3,4-dimethoxyphenyl)-3-[[4-(1,1-dimethylethyl)benzoyl]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-(3,4-Dimethoxyphenyl)-3-{[4-(2-methyl-2-propanyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamid [German] [ACD/IUPAC Name]
N-(3,4-Dimethoxyphenyl)-3-{[4-(2-methyl-2-propanyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)benzamide [ACD/IUPAC Name]
N-(3,4-Diméthoxyphényl)-3-{[4-(2-méthyl-2-propanyl)benzoyl]amino}-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)benzamide [French] [ACD/IUPAC Name]
3-[(4-tert-butylbenzoyl)amino]-N-(3,4-dimethoxyphenyl)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)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: 721.9±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: 1.663
Molar Refractivity: 176.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1894.75
ACD/KOC (pH 5.5): 7720.05
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1895.47
ACD/KOC (pH 7.4): 7722.98
Polar Surface Area: 100 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 476.4±5.0 cm3

Click to predict properties on the Chemicalize site


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