ChemSpider 2D Image | PD-0298029 | C27H32N2O4

PD-0298029

  • Molecular FormulaC27H32N2O4
  • Average mass448.554 Da
  • Monoisotopic mass448.236206 Da
  • ChemSpider ID26233369

More details:

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

12H-Indolo[4',5':5,6][1,3]oxazino[2,3-a]isoquinoline-1-carboxylic acid, 3,6a,11,14-tetrahydro-9-methoxy-3,5-dimethyl-2-propyl-, ethyl ester [ACD/Index Name]
9-Méthoxy-3,5-diméthyl-2-propyl-3,11,12,14-tétrahydro-6aH-indolo[4',5':5,6][1,3]oxazino[2,3-a]isoquinoléine-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 9-methoxy-3,5-dimethyl-2-propyl-3,11,12,14-tetrahydro-6aH-indolo[4',5':5,6][1,3]oxazino[2,3-a]isoquinoline-1-carboxylate [ACD/IUPAC Name]
Ethyl-9-methoxy-3,5-dimethyl-2-propyl-3,11,12,14-tetrahydro-6aH-indolo[4',5':5,6][1,3]oxazino[2,3-a]isochinolin-1-carboxylat [German] [ACD/IUPAC Name]
PD-0298029 [Wiki]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 621.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.9±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 126.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 14422.23
ACD/KOC (pH 5.5): 31335.29
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17274.99
ACD/KOC (pH 7.4): 37533.50
Polar Surface Area: 53 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 358.3±7.0 cm3

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