ChemSpider 2D Image | 1-[4-(3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinyl]-2-[4-(methoxyimino)-1-piperidinyl]ethanone | C27H31Br2ClN4O2

1-[4-(3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinyl]-2-[4-(methoxyimino)-1-piperidinyl]ethanone

  • Molecular FormulaC27H31Br2ClN4O2
  • Average mass638.822 Da
  • Monoisotopic mass636.050232 Da
  • ChemSpider ID8093020

More details:

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

1-[4-(3,10-Dibrom-8-chlor-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinyl]-2-[4-(methoxyimino)-1-piperidinyl]ethanon [German] [ACD/IUPAC Name]
1-[4-(3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinyl]-2-[4-(methoxyimino)-1-piperidinyl]ethanone [ACD/IUPAC Name]
1-[4-(3,10-Dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-pipéridinyl]-2-[4-(méthoxyimino)-1-pipéridinyl]éthanone [French] [ACD/IUPAC Name]
4-Piperidinone, 1-[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]-, 4-(O-methyloxime) [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 676.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.1±34.3 °C
Index of Refraction: 1.690
Molar Refractivity: 150.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 15549.97
ACD/KOC (pH 5.5): 27006.13
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37403.09
ACD/KOC (pH 7.4): 64959.13
Polar Surface Area: 58 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 392.5±7.0 cm3

Click to predict properties on the Chemicalize site


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