ChemSpider 2D Image | N-{2-[(2-Bromo-3,4,5-trimethoxybenzoyl)amino]hexanoyl}-N-cyclohexyl-L-prolinamide | C27H40BrN3O6

N-{2-[(2-Bromo-3,4,5-trimethoxybenzoyl)amino]hexanoyl}-N-cyclohexyl-L-prolinamide

  • Molecular FormulaC27H40BrN3O6
  • Average mass582.527 Da
  • Monoisotopic mass581.210022 Da
  • ChemSpider ID122888700

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-Pyrrolidinecarboxamide, N-[2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-1-oxohexyl]-N-cyclohexyl-, (2S)- [ACD/Index Name]
N-{2-[(2-Brom-3,4,5-trimethoxybenzoyl)amino]hexanoyl}-N-cyclohexyl-L-prolinamid [German] [ACD/IUPAC Name]
N-{2-[(2-Bromo-3,4,5-trimethoxybenzoyl)amino]hexanoyl}-N-cyclohexyl-L-prolinamide [ACD/IUPAC Name]
N-{2-[(2-Bromo-3,4,5-triméthoxybenzoyl)amino]hexanoyl}-N-cyclohexyl-L-prolinamide [French] [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: 631.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.8±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 144.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.07
ACD/KOC (pH 5.5): 7.54
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 54.43
ACD/KOC (pH 7.4): 385.17
Polar Surface Area: 106 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 438.0±5.0 cm3

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