ChemSpider 2D Image | 4-[3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-2-{[3-(3-fluorophenyl)-3-phenylpropanoyl]amino}-3-oxopropyl]phenyl acetate | C33H35FN2O6

4-[3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-2-{[3-(3-fluorophenyl)-3-phenylpropanoyl]amino}-3-oxopropyl]phenyl acetate

  • Molecular FormulaC33H35FN2O6
  • Average mass574.639 Da
  • Monoisotopic mass574.247925 Da
  • ChemSpider ID121698524

More details:

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

4-[3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-2-{[3-(3-fluorophenyl)-3-phenylpropanoyl]amino}-3-oxopropyl]phenyl acetate [ACD/IUPAC Name]
4-[3-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-2-{[3-(3-fluorphenyl)-3-phenylpropanoyl]amino}-3-oxopropyl]phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-[3-(1,4-dioxa-8-azaspiro[4.5]déc-8-yl)-2-{[3-(3-fluorophényl)-3-phénylpropanoyl]amino}-3-oxopropyl]phényle [French] [ACD/IUPAC Name]
Benzenepropanamide, N-[1-[[4-(acetyloxy)phenyl]methyl]-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-oxoethyl]-3-fluoro-β-phenyl- [ACD/Index 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: 792.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 432.9±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 154.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1243.86
ACD/KOC (pH 5.5): 5712.63
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1243.86
ACD/KOC (pH 7.4): 5712.64
Polar Surface Area: 94 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 443.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement