ChemSpider 2D Image | Methyl 11-(1-(2-(4-(2-quinolinylmethoxy)phenyl)ethyl)-4-piperidinylidene)-2,5,6,11-tetrahydro-3H-imidazo(2,1-b)(3)benzazepine-3-carboxylate | C37H38N4O3

Methyl 11-(1-(2-(4-(2-quinolinylmethoxy)phenyl)ethyl)-4-piperidinylidene)-2,5,6,11-tetrahydro-3H-imidazo(2,1-b)(3)benzazepine-3-carboxylate

  • Molecular FormulaC37H38N4O3
  • Average mass586.723 Da
  • Monoisotopic mass586.294373 Da
  • ChemSpider ID189903

More details:

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

11-(1-{2-[4-(2-Quinoléinylméthoxy)phényl]éthyl}-4-pipéridinylidène)-2,5,6,11-tétrahydro-3H-imidazo[2,1-b][3]benzazépine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
3H-Imidazo(2,1-b)(3)benzazepine-3-carboxylic acid, 2,5,6,11-tetrahydro-11-(1-(2-(4-(2-quinolinylmethoxy)phenyl)ethyl)-4-piperidinylidene)-, methyl ester
3H-Imidazo[2,1-b][3]benzazepine-3-carboxylic acid, 2,5,6,11-tetrahydro-11-[1-[2-[4-(2-quinolinylmethoxy)phenyl]ethyl]-4-piperidinylidene]-, methyl ester [ACD/Index Name]
Methyl 11-(1-(2-(4-(2-quinolinylmethoxy)phenyl)ethyl)-4-piperidinylidene)-2,5,6,11-tetrahydro-3H-imidazo(2,1-b)(3)benzazepine-3-carboxylate
Methyl 11-(1-{2-[4-(2-quinolinylmethoxy)phenyl]ethyl}-4-piperidinylidene)-2,5,6,11-tetrahydro-3H-imidazo[2,1-b][3]benzazepine-3-carboxylate [ACD/IUPAC Name]
Methyl-11-(1-{2-[4-(2-chinolinylmethoxy)phenyl]ethyl}-4-piperidinyliden)-2,5,6,11-tetrahydro-3H-imidazo[2,1-b][3]benzazepin-3-carboxylat [German] [ACD/IUPAC Name]
278798-78-0 [RN]
33538-87-3 [RN]
methyl 2-(1-{2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl}piperidin-4-ylidene)-4,7-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3,11,13-tetraene-6-carboxylate
R101933

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

R 101933 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 751.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.4±35.7 °C
Index of Refraction: 1.660
Molar Refractivity: 172.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 1.81
ACD/KOC (pH 5.5): 4.05
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 37.80
ACD/KOC (pH 7.4): 84.34
Polar Surface Area: 67 Å2
Polarizability: 68.5±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 467.9±7.0 cm3

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