ChemSpider 2D Image | N-(1-{4-[3-(3-Fluorophenyl)propyl]-1-piperazinyl}-1-oxo-3-phenyl-2-propanyl)-3-nitro-4-(1-pyrrolidinyl)benzamide | C33H38FN5O4

N-(1-{4-[3-(3-Fluorophenyl)propyl]-1-piperazinyl}-1-oxo-3-phenyl-2-propanyl)-3-nitro-4-(1-pyrrolidinyl)benzamide

  • Molecular FormulaC33H38FN5O4
  • Average mass587.684 Da
  • Monoisotopic mass587.290771 Da
  • ChemSpider ID122275116

More details:

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

Benzamide, N-[2-[4-[3-(3-fluorophenyl)propyl]-1-piperazinyl]-2-oxo-1-(phenylmethyl)ethyl]-3-nitro-4-(1-pyrrolidinyl)- [ACD/Index Name]
N-(1-{4-[3-(3-Fluorophenyl)propyl]-1-piperazinyl}-1-oxo-3-phenyl-2-propanyl)-3-nitro-4-(1-pyrrolidinyl)benzamide [ACD/IUPAC Name]
N-(1-{4-[3-(3-Fluorophényl)propyl]-1-pipérazinyl}-1-oxo-3-phényl-2-propanyl)-3-nitro-4-(1-pyrrolidinyl)benzamide [French] [ACD/IUPAC Name]
N-(1-{4-[3-(3-Fluorphenyl)propyl]-1-piperazinyl}-1-oxo-3-phenyl-2-propanyl)-3-nitro-4-(1-pyrrolidinyl)benzamid [German] [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: 785.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 428.6±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 162.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 640.92
ACD/KOC (pH 5.5): 2013.62
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4377.42
ACD/KOC (pH 7.4): 13752.84
Polar Surface Area: 102 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 467.5±3.0 cm3

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