ChemSpider 2D Image | 5-Bromo-1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]-2,4(1H,3H)-pyrimidinedione | C11H13BrN4O4

5-Bromo-1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC11H13BrN4O4
  • Average mass345.149 Da
  • Monoisotopic mass344.012024 Da
  • ChemSpider ID30098410

More details:

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

2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-[2-(hexahydro-5-oxo-1H-1,4-diazepin-1-yl)-2-oxoethyl]- [ACD/Index Name]
5-Brom-1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-Bromo-1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-Bromo-1-[2-oxo-2-(5-oxo-1,4-diazépan-1-yl)éthyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.594
Molar Refractivity: 70.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.61
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.05
ACD/LogD (pH 7.4): -1.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.23
Polar Surface Area: 99 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 207.3±3.0 cm3

Click to predict properties on the Chemicalize site


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