ChemSpider 2D Image | (4-{2-[4-(3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinyl]-2-oxoethyl}-1-piperidinyl)(oxo)methanaminium | C27H32Br2ClN4O2

(4-{2-[4-(3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinyl]-2-oxoethyl}-1-piperidinyl)(oxo)methanaminium

  • Molecular FormulaC27H32Br2ClN4O2
  • Average mass639.829 Da
  • Monoisotopic mass637.057495 Da
  • ChemSpider ID21239920

  • Charge - Charge

More details:

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

(4-{2-[4-(3,10-Dibrom-8-chlor-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinyl]-2-oxoethyl}-1-piperidinyl)(oxo)methanaminium [German] [ACD/IUPAC Name]
(4-{2-[4-(3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinyl]-2-oxoethyl}-1-piperidinyl)(oxo)methanaminium [ACD/IUPAC Name]
(4-{2-[4-(3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-pipéridinyl]-2-oxoéthyl}-1-pipéridinyl)(oxo)méthanaminium [French] [ACD/IUPAC Name]
1-Piperidinecarboxamide, 4-[2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinyl]-2-oxoethyl]-, conjugate monoacid [ACD/Index Name]

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

Density:
Boiling Point: 703.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 379.0±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 36.09
ACD/KOC (pH 5.5): 107.24
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 18.62
ACD/KOC (pH 7.4): 55.32
Polar Surface Area: 82 Å2
Polarizability:
Surface Tension:
Molar Volume:

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