ChemSpider 2D Image | 3-[(3,5-Dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N-(3,4,5-trimethoxyphenyl)benzamide | C36H38N4O8

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

  • Molecular FormulaC36H38N4O8
  • Average mass654.709 Da
  • Monoisotopic mass654.268982 Da
  • ChemSpider ID22474714

More details:

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

3-[(3,5-Dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-N-(3,4,5-trimethoxyphenyl)benzamid [German] [ACD/IUPAC Name]
3-[(3,5-Dimethoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-N-(3,4,5-trimethoxyphenyl)benzamide [ACD/IUPAC Name]
3-[(3,5-Diméthoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)-N-(3,4,5-triméthoxyphényl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[(3,5-dimethoxybenzoyl)amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 770.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 419.7±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 177.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.03
ACD/KOC (pH 5.5): 1045.53
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.12
ACD/KOC (pH 7.4): 1046.32
Polar Surface Area: 128 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 476.7±5.0 cm3

Click to predict properties on the Chemicalize site


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