ChemSpider 2D Image | (2R,3aR,4R,5R,8aR)-5-({3-Methoxy-4-[2-(4-morpholinyl)ethoxy]benzyl}amino)-1,3a-dimethyl-2-phenyldecahydrocyclohepta[b]pyrrol-4-ol | C31H45N3O4

(2R,3aR,4R,5R,8aR)-5-({3-Methoxy-4-[2-(4-morpholinyl)ethoxy]benzyl}amino)-1,3a-dimethyl-2-phenyldecahydrocyclohepta[b]pyrrol-4-ol

  • Molecular FormulaC31H45N3O4
  • Average mass523.707 Da
  • Monoisotopic mass523.341003 Da
  • ChemSpider ID68648198

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3aR,4R,5R,8aR)-5-({3-Methoxy-4-[2-(4-morpholinyl)ethoxy]benzyl}amino)-1,3a-dimethyl-2-phenyldecahydrocyclohepta[b]pyrrol-4-ol [German] [ACD/IUPAC Name]
(2R,3aR,4R,5R,8aR)-5-({3-Methoxy-4-[2-(4-morpholinyl)ethoxy]benzyl}amino)-1,3a-dimethyl-2-phenyldecahydrocyclohepta[b]pyrrol-4-ol [ACD/IUPAC Name]
(2R,3aR,4R,5R,8aR)-5-({3-Méthoxy-4-[2-(4-morpholinyl)éthoxy]benzyl}amino)-1,3a-diméthyl-2-phényldécahydrocyclohepta[b]pyrrol-4-ol [French] [ACD/IUPAC Name]
Cyclohepta[b]pyrrol-4-ol, decahydro-5-[[[3-methoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]methyl]amino]-1,3a-dimethyl-2-phenyl-, (2R,3aR,4R,5R,8aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 657.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 351.5±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 151.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.05
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 66 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 439.9±5.0 cm3

Click to predict properties on the Chemicalize site


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