ChemSpider 2D Image | (1S,3R,6S)-4-Oxo-6-{4-[(2-phenyl-4-quinolinyl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid | C29H24N2O4

(1S,3R,6S)-4-Oxo-6-{4-[(2-phenyl-4-quinolinyl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid

  • Molecular FormulaC29H24N2O4
  • Average mass464.512 Da
  • Monoisotopic mass464.173615 Da
  • ChemSpider ID25056739

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3R,6S)-4-Oxo-6-{4-[(2-phenyl-4-chinolinyl)methoxy]phenyl}-5-azaspiro[2.4]heptan-1-carbonsäure [German] [ACD/IUPAC Name]
(1S,3R,6S)-4-Oxo-6-{4-[(2-phenyl-4-quinolinyl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid [ACD/IUPAC Name]
(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid
5-Azaspiro[2.4]heptane-1-carboxylic acid, 4-oxo-6-[4-[(2-phenyl-4-quinolinyl)methoxy]phenyl]-, (1S,3R,6S)- [ACD/Index Name]
Acide (1S,3R,6S)-4-oxo-6-{4-[(2-phényl-4-quinoléinyl)méthoxy]phényl}-5-azaspiro[2.4]heptane-1-carboxylique [French] [ACD/IUPAC Name]

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

642 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 774.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 421.9±32.9 °C
Index of Refraction: 1.719
Molar Refractivity: 131.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 32.99
ACD/KOC (pH 5.5): 245.55
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.09
Polar Surface Area: 89 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 333.5±5.0 cm3

Click to predict properties on the Chemicalize site


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