ChemSpider 2D Image | AGELANESIN A | C18H23Br2N3O2

AGELANESIN A

  • Molecular FormulaC18H23Br2N3O2
  • Average mass473.202 Da
  • Monoisotopic mass471.015686 Da
  • ChemSpider ID24650465

More details:

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

1H-Pyrrole-2-carboxamide, 4-bromo-N-[3-[2-bromo-4-[2-(dimethylamino)ethyl]phenoxy]propyl]- [ACD/Index Name]
4-Brom-N-(3-{2-brom-4-[2-(dimethylamino)ethyl]phenoxy}propyl)-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4-Bromo-N-(3-{2-bromo-4-[2-(dimethylamino)ethyl]phenoxy}propyl)-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4-Bromo-N-(3-{2-bromo-4-[2-(diméthylamino)éthyl]phénoxy}propyl)-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
AGELANESIN A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 611.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.9±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.64
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 6.17
ACD/KOC (pH 7.4): 37.88
Polar Surface Area: 57 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 315.0±3.0 cm3

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