ChemSpider 2D Image | 6-Chloro-7-hydroxy-8-({(2-methoxyethyl)[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]amino}methyl)-4-phenyl-2H-chromen-2-one | C29H35ClN2O4

6-Chloro-7-hydroxy-8-({(2-methoxyethyl)[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]amino}methyl)-4-phenyl-2H-chromen-2-one

  • Molecular FormulaC29H35ClN2O4
  • Average mass511.052 Da
  • Monoisotopic mass510.228546 Da
  • ChemSpider ID58174266

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 6-chloro-7-hydroxy-8-[[(2-methoxyethyl)[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]amino]methyl]-4-phenyl- [ACD/Index Name]
6-Chlor-7-hydroxy-8-({(2-methoxyethyl)[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]amino}methyl)-4-phenyl-2H-chromen-2-on [German] [ACD/IUPAC Name]
6-Chloro-7-hydroxy-8-({(2-methoxyethyl)[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]amino}methyl)-4-phenyl-2H-chromen-2-one [ACD/IUPAC Name]
6-Chloro-7-hydroxy-8-({(2-méthoxyéthyl)[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]amino}méthyl)-4-phényl-2H-chromén-2-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 651.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 347.5±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 141.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 4.32
ACD/KOC (pH 5.5): 10.05
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 35.04
ACD/KOC (pH 7.4): 81.53
Polar Surface Area: 62 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 393.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement