ChemSpider 2D Image | N-(2-Bromo-3,4,5-trimethoxybenzoyl)isoleucyl-N-cyclohexyl-L-prolinamide | C27H40BrN3O6

N-(2-Bromo-3,4,5-trimethoxybenzoyl)isoleucyl-N-cyclohexyl-L-prolinamide

  • Molecular FormulaC27H40BrN3O6
  • Average mass582.527 Da
  • Monoisotopic mass581.210022 Da
  • ChemSpider ID122888838

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-(2-bromo-3,4,5-trimethoxybenzoyl)isoleucyl-N-cyclohexyl- [ACD/Index Name]
N-(2-Brom-3,4,5-trimethoxybenzoyl)isoleucyl-N-cyclohexyl-L-prolinamid [German] [ACD/IUPAC Name]
N-(2-Bromo-3,4,5-trimethoxybenzoyl)isoleucyl-N-cyclohexyl-L-prolinamide [ACD/IUPAC Name]
N-(2-Bromo-3,4,5-triméthoxybenzoyl)isoleucyl-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: 681.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 365.8±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: 3.26
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 307.56
ACD/KOC (pH 5.5): 2101.19
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 307.55
ACD/KOC (pH 7.4): 2101.15
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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