ChemSpider 2D Image | 1'-[3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl](2,2,3,3,4,4,5,5,6,6-~2~H_10_)-1,4'-bipiperidine-4'-carboxamide | C28H27D10ClN4O

1'-[3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl](2,2,3,3,4,4,5,5,6,6-2H10)-1,4'-bipiperidine-4'-carboxamide

  • Molecular FormulaC28H27D10ClN4O
  • Average mass491.134 Da
  • Monoisotopic mass490.328369 Da
  • ChemSpider ID107434372

  • Non-standard isotope - Non-standard isotope

More details:

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

[1,4'-Bipiperidine-2,2,3,3,4,4,5,5,6,6-d10]-4'-carboxamide, 1'-[3-(3-chloro-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]- [ACD/Index Name]
1'-[3-(3-Chlor-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl](2,2,3,3,4,4,5,5,6,6-2H10)-1,4'-bipiperidin-4'-carboxamid [German] [ACD/IUPAC Name]
1'-[3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl](2,2,3,3,4,4,5,5,6,6-2H10)-1,4'-bipiperidine-4'-carboxamide [ACD/IUPAC Name]
1'-[3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azépin-5-yl)propyl](2,2,3,3,4,4,5,5,6,6-2H10)-1,4'-bipipéridine-4'-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.2±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 138.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 12.34
ACD/KOC (pH 5.5): 36.15
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 700.97
ACD/KOC (pH 7.4): 2053.96
Polar Surface Area: 53 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 402.5±3.0 cm3

Click to predict properties on the Chemicalize site


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