ChemSpider 2D Image | N-[2-(1-Cyclohexen-1-yl)ethyl]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-3-{[3-(trifluoromethyl)benzoyl]amino}benzamide | C34H35F3N4O3

N-[2-(1-Cyclohexen-1-yl)ethyl]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-{[3-(trifluoromethyl)benzoyl]amino}benzamide

  • Molecular FormulaC34H35F3N4O3
  • Average mass604.662 Da
  • Monoisotopic mass604.266113 Da
  • ChemSpider ID13134073

More details:






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

Benzamide, N-[2-(1-cyclohexen-1-yl)ethyl]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)-3-[[3-(trifluoromethyl)benzoyl]amino]- [ACD/Index Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-{[3-(trifluormethyl)benzoyl]amino}benzamid [German] [ACD/IUPAC Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-{[3-(trifluoromethyl)benzoyl]amino}benzamide [ACD/IUPAC Name]
N-[2-(1-Cyclohexén-1-yl)éthyl]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)-3-{[3-(trifluorométhyl)benzoyl]amino}benzamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 731.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 395.9±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 160.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4804.44
ACD/KOC (pH 5.5): 15019.16
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4814.68
ACD/KOC (pH 7.4): 15051.17
Polar Surface Area: 82 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 444.4±5.0 cm3

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