ChemSpider 2D Image | 3-({3-(4-Fluorophenyl)-1-oxo-1-[3-(4-phenylbutanoyl)-1-piperidinyl]-2-propanyl}carbamoyl)phenyl acetate | C33H35FN2O5

3-({3-(4-Fluorophenyl)-1-oxo-1-[3-(4-phenylbutanoyl)-1-piperidinyl]-2-propanyl}carbamoyl)phenyl acetate

  • Molecular FormulaC33H35FN2O5
  • Average mass558.640 Da
  • Monoisotopic mass558.252991 Da
  • ChemSpider ID121994576

More details:

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

3-({3-(4-Fluorophenyl)-1-oxo-1-[3-(4-phenylbutanoyl)-1-piperidinyl]-2-propanyl}carbamoyl)phenyl acetate [ACD/IUPAC Name]
3-({3-(4-Fluorphenyl)-1-oxo-1-[3-(4-phenylbutanoyl)-1-piperidinyl]-2-propanyl}carbamoyl)phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-({3-(4-fluorophényl)-1-oxo-1-[3-(4-phénylbutanoyl)-1-pipéridinyl]-2-propanyl}carbamoyl)phényle [French] [ACD/IUPAC Name]
Benzamide, 3-(acetyloxy)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-2-[3-(1-oxo-4-phenylbutyl)-1-piperidinyl]ethyl]- [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: 764.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 416.3±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 152.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 4971.53
ACD/KOC (pH 5.5): 15400.69
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 4971.52
ACD/KOC (pH 7.4): 15400.65
Polar Surface Area: 93 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 457.9±3.0 cm3

Click to predict properties on the Chemicalize site


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