ChemSpider 2D Image | 5-Bromo-N-{3-chloro-2-[4-(2-propyn-1-yl)-1-piperazinyl]phenyl}-2-furamide | C18H17BrClN3O2

5-Bromo-N-{3-chloro-2-[4-(2-propyn-1-yl)-1-piperazinyl]phenyl}-2-furamide

  • Molecular FormulaC18H17BrClN3O2
  • Average mass422.703 Da
  • Monoisotopic mass421.019257 Da
  • ChemSpider ID25059019

More details:

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

2-Furancarboxamide, 5-bromo-N-[3-chloro-2-[4-(2-propyn-1-yl)-1-piperazinyl]phenyl]- [ACD/Index Name]
5-Brom-N-{3-chlor-2-[4-(2-propin-1-yl)-1-piperazinyl]phenyl}-2-furamid [German] [ACD/IUPAC Name]
5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide
5-Bromo-N-{3-chloro-2-[4-(2-propyn-1-yl)-1-piperazinyl]phenyl}-2-furamide [ACD/IUPAC Name]
5-Bromo-N-{3-chloro-2-[4-(2-propyn-1-yl)-1-pipérazinyl]phényl}-2-furamide [French] [ACD/IUPAC Name]
5-bromo-N-{3-chloro-2-[4-(prop-2-yn-1-yl)piperazin-1-yl]phenyl}furan-2-carboxamide
piperazine amide, 4g

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

Density: 1.5±0.1 g/cm3
Boiling Point: 446.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 223.7±28.7 °C
Index of Refraction: 1.642
Molar Refractivity: 101.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 398.96
ACD/KOC (pH 5.5): 2015.41
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 875.91
ACD/KOC (pH 7.4): 4424.84
Polar Surface Area: 49 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 280.4±3.0 cm3

Click to predict properties on the Chemicalize site


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