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

Isopropyl 4-(8-chloro-6-{[methoxy(propionyl)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 ID8523883

More details:

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

1-Piperidinecarboxylic acid, 4-[8-chloro-6-[[methoxy(1-oxopropyl)amino](1-methyl-1H-imidazol-5-yl)methyl]-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-, 1-methylethyl ester [ACD/Index Name]
4-(8-Chloro-6-{[méthoxy(propionyl)amino](1-méthyl-1H-imidazol-5-yl)méthyl}-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-pipéridinecarboxylate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl 4-(8-chloro-6-{[methoxy(propionyl)amino](1-methyl-1H-imidazol-5-yl)methyl}-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)-1-piperidinecarboxylate [ACD/IUPAC Name]
Isopropyl-4-(8-chlor-6-{[methoxy(propionyl)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]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 748.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 406.4±35.7 °C
Index of Refraction: 1.631
Molar Refractivity: 163.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 320.04
ACD/KOC (pH 5.5): 1123.99
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2875.59
ACD/KOC (pH 7.4): 10099.08
Polar Surface Area: 90 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 458.5±7.0 cm3

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