ChemSpider 2D Image | N,N'-(Disulfanediyldi-2,1-ethanediyl)bis[3-(3-bromo-4-hydroxyphenyl)-2-nitrosopropanamide] (non-preferred name) | C22H24Br2N4O6S2

N,N'-(Disulfanediyldi-2,1-ethanediyl)bis[3-(3-bromo-4-hydroxyphenyl)-2-nitrosopropanamide] (non-preferred name)

  • Molecular FormulaC22H24Br2N4O6S2
  • Average mass664.387 Da
  • Monoisotopic mass661.950378 Da
  • ChemSpider ID34974249

More details:

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

Benzenepropanamide, N,N'-(dithiodi-2,1-ethanediyl)bis[3-bromo-4-hydroxy-α-nitroso- [ACD/Index Name]
N,N'-(Disulfandiyldi-2,1-ethandiyl)bis[3-(3-brom-4-hydroxyphenyl)-2-nitrosopropanamid] (non-preferred name) [German] [ACD/IUPAC Name]
N,N'-(Disulfanediyldi-2,1-ethanediyl)bis[3-(3-bromo-4-hydroxyphenyl)-2-nitrosopropanamide] (non-preferred name) [ACD/IUPAC Name]
N,N'-(Disulfanediyldi-2,1-éthanediyl)bis[3-(3-bromo-4-hydroxyphényl)-2-nitrosopropanamide] (non-preferred name) [French] [ACD/IUPAC Name]
CHEMBL83747

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

Density: 1.7±0.1 g/cm3
Boiling Point: 842.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.6±3.0 kJ/mol
Flash Point: 463.2±34.3 °C
Index of Refraction: 1.686
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 794.93
ACD/KOC (pH 5.5): 4142.26
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 618.78
ACD/KOC (pH 7.4): 3224.34
Polar Surface Area: 208 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 385.9±7.0 cm3

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