ChemSpider 2D Image | (-)-Brevianamide A | C21H23N3O3

(-)-Brevianamide A

  • Molecular FormulaC21H23N3O3
  • Average mass365.426 Da
  • Monoisotopic mass365.173950 Da
  • ChemSpider ID21447237

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(-)-Brevianamide A
(1R,3S,5R,7R)-4,4-Dimethyl-13H-spiro[9,14-diazatetracyclo[5.5.2.01,9.03,7]tetradecane-5,2'-indole]-3',8,13(1'H)-trione [ACD/IUPAC Name]
Brevianamide [Wiki]
Brevianamide A
23402-09-7 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 670.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.3±31.5 °C
Index of Refraction: 1.689
Molar Refractivity: 97.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.36
ACD/KOC (pH 5.5): 198.14
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.36
ACD/KOC (pH 7.4): 198.16
Polar Surface Area: 79 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 255.6±5.0 cm3

Click to predict properties on the Chemicalize site


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