ChemSpider 2D Image | N-(4-{4-[(1S)-2-(Diethylamino)-2-oxo-1-phenylethyl]-1-piperazinyl}-3-fluorophenyl)-2-(3-pyridinyl)benzamide | C34H36FN5O2

N-(4-{4-[(1S)-2-(Diethylamino)-2-oxo-1-phenylethyl]-1-piperazinyl}-3-fluorophenyl)-2-(3-pyridinyl)benzamide

  • Molecular FormulaC34H36FN5O2
  • Average mass565.680 Da
  • Monoisotopic mass565.285278 Da
  • ChemSpider ID26618400

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazineacetamide, N,N-diethyl-4-[2-fluoro-4-[[2-(3-pyridinyl)benzoyl]amino]phenyl]-α-phenyl-, (αS)- [ACD/Index Name]
N-(4-{4-[(1S)-2-(Diethylamino)-2-oxo-1-phenylethyl]-1-piperazinyl}-3-fluorophenyl)-2-(3-pyridinyl)benzamide [ACD/IUPAC Name]
N-(4-{4-[(1S)-2-(Diéthylamino)-2-oxo-1-phényléthyl]-1-pipérazinyl}-3-fluorophényl)-2-(3-pyridinyl)benzamide [French] [ACD/IUPAC Name]
N-(4-{4-[(1S)-2-(Diethylamino)-2-oxo-1-phenylethyl]-1-piperazinyl}-3-fluorphenyl)-2-(3-pyridinyl)benzamid [German] [ACD/IUPAC Name]
1094873-14-9 [RN]
JNJ-31020028
UNII-73F8XED6YP

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

Density: 1.2±0.1 g/cm3
Boiling Point: 677.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.5±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 163.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 189.63
ACD/KOC (pH 5.5): 744.41
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1919.56
ACD/KOC (pH 7.4): 7535.28
Polar Surface Area: 69 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 460.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement