ChemSpider 2D Image | 4-[2-{4-[(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-piperidinyl}-2-oxo(2-~13~C)ethyl]-1-piperidine(~13~C,~15~N)carboxamide | C2513C2H31Br2ClN315NO2

4-[2-{4-[(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-piperidinyl}-2-oxo(2-13C)ethyl]-1-piperidine(13C,15N)carboxamide

  • Molecular FormulaC2513C2H31Br2ClN315NO2
  • Average mass641.800 Da
  • Monoisotopic mass639.053955 Da
  • ChemSpider ID9961712

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1-Piperidinecarboxamide-13C-15N, 4-[2-[4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-piperidinyl]-2-oxoethyl-2-13C]- [ACD/Index Name]
4-[2-{4-[(11R)-3,10-Dibrom-8-chlor-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-piperidinyl}-2-oxo(2-13C)ethyl]-1-piperidin(13C,15N)carboxamid [German] [ACD/IUPAC Name]
4-[2-{4-[(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-piperidinyl}-2-oxo(2-13C)ethyl]-1-piperidine(13C,15N)carboxamide [ACD/IUPAC Name]
4-[2-{4-[(11R)-3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-1-pipéridinyl}-2-oxo(2-13C)éthyl]-1-pipéridine(13C,15N)carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 148.0±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 415.7±3.0 cm3

Click to predict properties on the Chemicalize site


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