ChemSpider 2D Image | 1-{3-[2,6-Dibromo-4-(2-{[(2,5-dioxo-3-cyclopenten-1-ylidene)methyl]amino}ethyl)phenoxy]propyl}urea | C18H19Br2N3O4

1-{3-[2,6-Dibromo-4-(2-{[(2,5-dioxo-3-cyclopenten-1-ylidene)methyl]amino}ethyl)phenoxy]propyl}urea

  • Molecular FormulaC18H19Br2N3O4
  • Average mass501.169 Da
  • Monoisotopic mass498.974213 Da
  • ChemSpider ID40256550

More details:

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

1-{3-[2,6-Dibrom-4-(2-{[(2,5-dioxo-3-cyclopenten-1-yliden)methyl]amino}ethyl)phenoxy]propyl}harnstoff [German] [ACD/IUPAC Name]
1-{3-[2,6-Dibromo-4-(2-{[(2,5-dioxo-3-cyclopenten-1-ylidene)methyl]amino}ethyl)phenoxy]propyl}urea [ACD/IUPAC Name]
1-{3-[2,6-Dibromo-4-(2-{[(2,5-dioxo-3-cyclopentén-1-ylidène)méthyl]amino}éthyl)phénoxy]propyl}urée [French] [ACD/IUPAC Name]
Urea, N-[3-[2,6-dibromo-4-[2-[[(2,5-dioxo-3-cyclopenten-1-ylidene)methyl]amino]ethyl]phenoxy]propyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 662.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.2±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 109.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.88
ACD/KOC (pH 5.5): 521.36
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.88
ACD/KOC (pH 7.4): 521.41
Polar Surface Area: 111 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 69.7±3.0 dyne/cm
Molar Volume: 293.7±3.0 cm3

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