ChemSpider 2D Image | (3S,4R)-1,4-Bis(4-methoxyphenyl)-3-(3-phenylpropyl)-2-azetidinone | C26H27NO3

(3S,4R)-1,4-Bis(4-methoxyphenyl)-3-(3-phenylpropyl)-2-azetidinone

  • Molecular FormulaC26H27NO3
  • Average mass401.497 Da
  • Monoisotopic mass401.199097 Da
  • ChemSpider ID23219317

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-1,4-Bis(4-methoxyphenyl)-3-(3-phenylpropyl)-2-azetidinon [German] [ACD/IUPAC Name]
(3S,4R)-1,4-Bis(4-methoxyphenyl)-3-(3-phenylpropyl)-2-azetidinone [ACD/IUPAC Name]
(3S,4R)-1,4-Bis(4-méthoxyphényl)-3-(3-phénylpropyl)-2-azétidinone [French] [ACD/IUPAC Name]
2-Azetidinone, 1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)-, (3S,4R)- [ACD/Index Name]
(3S,4R)-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
SCH-48462

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

Density: 1.1±0.1 g/cm3
Boiling Point: 621.3±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: 329.6±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 118.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4031.41
ACD/KOC (pH 5.5): 13254.97
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4031.43
ACD/KOC (pH 7.4): 13255.06
Polar Surface Area: 39 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 349.7±3.0 cm3

Click to predict properties on the Chemicalize site


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