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

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

  • Molecular FormulaC27H40BrN3O6
  • Average mass582.527 Da
  • Monoisotopic mass581.210022 Da
  • ChemSpider ID122888816

  • defined stereocentres - 1 of 3 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]-3-methyl-1-oxopentyl]-N-cyclohexyl-, (2S)- [ACD/Index Name]
N-{2-[(2-Brom-3,4,5-trimethoxybenzoyl)amino]-3-methylpentanoyl}-N-cyclohexyl-L-prolinamid [German] [ACD/IUPAC Name]
N-{2-[(2-Bromo-3,4,5-trimethoxybenzoyl)amino]-3-methylpentanoyl}-N-cyclohexyl-L-prolinamide [ACD/IUPAC Name]
N-{2-[(2-Bromo-3,4,5-triméthoxybenzoyl)amino]-3-méthylpentanoyl}-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: 627.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 333.4±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 144.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.80
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 47.05
ACD/KOC (pH 7.4): 347.03
Polar Surface Area: 106 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 438.6±5.0 cm3

Click to predict properties on the Chemicalize site


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