ChemSpider 2D Image | (8aR)-1'-[3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]hexahydro-2H-spiro[imidazo[1,2-a]pyridine-3,4'-piperidin]-2-one | C28H35ClN4O

(8aR)-1'-[3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]hexahydro-2H-spiro[imidazo[1,2-a]pyridine-3,4'-piperidin]-2-one

  • Molecular FormulaC28H35ClN4O
  • Average mass479.057 Da
  • Monoisotopic mass478.249939 Da
  • ChemSpider ID32806490

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8aR)-1'-[3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]hexahydro-2H-spiro[imidazo[1,2-a]pyridine-3,4'-piperidin]-2-one [ACD/IUPAC Name]
Spiro[imidazo[1,2-a]pyridine-3(2H),4'-piperidin]-2-one, 1'-[3-(3-chloro-10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]hexahydro-, (8aR)- [ACD/Index Name]
(R)-mosapramine
89419-40-9 [RN]
Mosapramine [INN] [Wiki]
UNII-04UZQ7O9SJ
  • Miscellaneous

    • Chemical Class:

      A 1'-[3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]hexahydro-2H-spiro[imidazo[1,2-a]pyridine-3,4'-piperidin]-2-one that has (R)-configuration. ChEBI CHEBI:166971

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

Density: 1.3±0.1 g/cm3
Boiling Point: 680.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.2±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 137.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 4.28
ACD/KOC (pH 5.5): 14.13
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 90.37
ACD/KOC (pH 7.4): 298.23
Polar Surface Area: 39 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 369.7±5.0 cm3

Click to predict properties on the Chemicalize site


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