ChemSpider 2D Image | 4,8-Dimethoxy-1-[(1R,2R)-2-(4-methoxy-9H-beta-carbolin-1-yl)cyclobutyl]-9H-beta-carboline | C29H26N4O3

4,8-Dimethoxy-1-[(1R,2R)-2-(4-methoxy-9H-β-carbolin-1-yl)cyclobutyl]-9H-β-carboline

  • Molecular FormulaC29H26N4O3
  • Average mass478.542 Da
  • Monoisotopic mass478.200500 Da
  • ChemSpider ID24664432

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1207862-36-9 [RN]
4,8-Dimethoxy-1-[(1R,2R)-2-(4-methoxy-9H-β-carbolin-1-yl)cyclobutyl]-9H-β-carbolin [German] [ACD/IUPAC Name]
4,8-Dimethoxy-1-[(1R,2R)-2-(4-methoxy-9H-β-carbolin-1-yl)cyclobutyl]-9H-β-carboline [ACD/IUPAC Name]
4,8-Diméthoxy-1-[(1R,2R)-2-(4-méthoxy-9H-β-carbolin-1-yl)cyclobutyl]-9H-β-carboline [French] [ACD/IUPAC Name]
9H-Pyrido[3,4-b]indole, 4,8-dimethoxy-1-[(1R,2R)-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)cyclobutyl]- [ACD/Index Name]
rel-4,8-Dimethoxy-1-[(1R,2R)-2-(4-methoxy-9H-pyrido[3,4-b]indol-1-yl)cyclobutyl]-9H-pyrido[3,4-b]indole
QUASSIDINE A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 775.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 257.4±23.1 °C
Index of Refraction: 1.756
Molar Refractivity: 143.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 10.69
ACD/KOC (pH 5.5): 21.52
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 4340.05
ACD/KOC (pH 7.4): 8740.67
Polar Surface Area: 85 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 350.9±3.0 cm3

Click to predict properties on the Chemicalize site


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