ChemSpider 2D Image | N-(3-Bromophenyl)-4-{2-[(2-methoxycinnamyl)(pentanoyl)amino]ethyl}-1-piperazinecarboxamide | C28H37BrN4O3

N-(3-Bromophenyl)-4-{2-[(2-methoxycinnamyl)(pentanoyl)amino]ethyl}-1-piperazinecarboxamide

  • Molecular FormulaC28H37BrN4O3
  • Average mass557.522 Da
  • Monoisotopic mass556.204895 Da
  • ChemSpider ID3106542

More details:

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

1-Piperazinecarboxamide, N-(3-bromophenyl)-4-[2-[[3-(2-methoxyphenyl)-2-propen-1-yl](1-oxopentyl)amino]ethyl]- [ACD/Index Name]
N-(3-Bromophenyl)-4-{2-[(2-methoxycinnamyl)(pentanoyl)amino]ethyl}-1-piperazinecarboxamide [ACD/IUPAC Name]
N-(3-Bromophényl)-4-{2-[(2-méthoxycinnamyl)(pentanoyl)amino]éthyl}-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
N-(3-Bromphenyl)-4-{2-[(2-methoxycinnamyl)(pentanoyl)amino]ethyl}-1-piperazincarboxamid [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: 723.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.3±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 150.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 709.49
ACD/KOC (pH 5.5): 2463.59
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3179.07
ACD/KOC (pH 7.4): 11038.73
Polar Surface Area: 65 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 433.7±3.0 cm3

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