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

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

  • Molecular FormulaC28H37BrN4O3
  • Average mass557.522 Da
  • Monoisotopic mass556.204895 Da
  • ChemSpider ID2629037

More details:

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

1-Piperazinecarboxamide, N-(2-bromophenyl)-4-[2-[[3-(2-methoxyphenyl)-2-propen-1-yl](1-oxopentyl)amino]ethyl]- [ACD/Index Name]
N-(2-Bromophenyl)-4-{2-[(2-methoxycinnamyl)(pentanoyl)amino]ethyl}-1-piperazinecarboxamide [ACD/IUPAC Name]
N-(2-Bromophényl)-4-{2-[(2-méthoxycinnamyl)(pentanoyl)amino]éthyl}-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
N-(2-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: 723.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 391.1±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: 1
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 607.95
ACD/KOC (pH 5.5): 2291.90
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2397.54
ACD/KOC (pH 7.4): 9038.48
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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