ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(8-chloro-6-{[(methoxyacetyl)amino](1-methyl-1H-imidazol-5-yl)methyl}-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinecarboxylate | C32H38ClN5O4

2-Methyl-2-propanyl 4-(8-chloro-6-{[(methoxyacetyl)amino](1-methyl-1H-imidazol-5-yl)methyl}-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinecarboxylate

  • Molecular FormulaC32H38ClN5O4
  • Average mass592.128 Da
  • Monoisotopic mass591.261230 Da
  • ChemSpider ID9853487

More details:

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

1-Piperidinecarboxylic acid, 4-[8-chloro-6-[[(2-methoxyacetyl)amino](1-methyl-1H-imidazol-5-yl)methyl]-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(8-chloro-6-{[(methoxyacetyl)amino](1-methyl-1H-imidazol-5-yl)methyl}-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(8-chlor-6-{[(methoxyacetyl)amino](1-methyl-1H-imidazol-5-yl)methyl}-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-(8-Chloro-6-{[(2-méthoxyacétyl)amino](1-méthyl-1H-imidazol-5-yl)méthyl}-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 801.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 438.6±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 163.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 203.14
ACD/KOC (pH 5.5): 842.29
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1624.07
ACD/KOC (pH 7.4): 6733.98
Polar Surface Area: 99 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 457.8±7.0 cm3

Click to predict properties on the Chemicalize site


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