ChemSpider 2D Image | 1,3-Dibromo-2-{3-[(cyanocarbonyl)amino]propoxy}-5-(2-{[(2,5-dioxo-3-cyclopenten-1-ylidene)methyl]amino}ethyl)benzene | C19H17Br2N3O4

1,3-Dibromo-2-{3-[(cyanocarbonyl)amino]propoxy}-5-(2-{[(2,5-dioxo-3-cyclopenten-1-ylidene)methyl]amino}ethyl)benzene

  • Molecular FormulaC19H17Br2N3O4
  • Average mass511.164 Da
  • Monoisotopic mass508.958557 Da
  • ChemSpider ID32674542

More details:

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

1,3-Dibrom-2-{3-[(cyancarbonyl)amino]propoxy}-5-(2-{[(2,5-dioxo-3-cyclopenten-1-yliden)methyl]amino}ethyl)benzol [German] [ACD/IUPAC Name]
1,3-Dibromo-2-{3-[(cyanocarbonyl)amino]propoxy}-5-(2-{[(2,5-dioxo-3-cyclopenten-1-ylidene)methyl]amino}ethyl)benzene [ACD/IUPAC Name]
1,3-Dibromo-2-{3-[(cyanocarbonyl)amino]propoxy}-5-(2-{[(2,5-dioxo-3-cyclopentén-1-ylidène)méthyl]amino}éthyl)benzène [French] [ACD/IUPAC Name]
Benzene, 1,3-dibromo-2-[3-[(cyanocarbonyl)amino]propoxy]-5-[2-[[(2,5-dioxo-3-cyclopenten-1-ylidene)methyl]amino]ethyl]- [ACD/Index Name]
subereamide A

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 110.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.36
ACD/KOC (pH 5.5): 631.49
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 55.84
ACD/KOC (pH 7.4): 614.78
Polar Surface Area: 108 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 70.3±3.0 dyne/cm
Molar Volume: 300.0±3.0 cm3

Click to predict properties on the Chemicalize site


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