ChemSpider 2D Image | (4Z)-4-(2-Amino-5-oxo-3,5-dihydro-4H-imidazol-4-ylidene)-2-bromo(5,5,6,6-~2~H_4_)-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one | C11H6D4BrN5O2

(4Z)-4-(2-Amino-5-oxo-3,5-dihydro-4H-imidazol-4-ylidene)-2-bromo(5,5,6,6-2H4)-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one

  • Molecular FormulaC11H6D4BrN5O2
  • Average mass328.158 Da
  • Monoisotopic mass327.026886 Da
  • ChemSpider ID48059885

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(4Z)-4-(2-Amino-5-oxo-3,5-dihydro-4H-imidazol-4-yliden)-2-brom(5,5,6,6-2H4)-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-on [German] [ACD/IUPAC Name]
(4Z)-4-(2-Amino-5-oxo-3,5-dihydro-4H-imidazol-4-ylidene)-2-bromo(5,5,6,6-2H4)-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(1H)-one [ACD/IUPAC Name]
(4Z)-4-(2-Amino-5-oxo-3,5-dihydro-4H-imidazol-4-ylidène)-2-bromo(5,5,6,6-2H4)-4,5,6,7-tétrahydropyrrolo[2,3-c]azépin-8(1H)-one [French] [ACD/IUPAC Name]
Pyrrolo[2,3-c]azepin-8(1H)-one-5,6-d2, 4-(2-amino-3,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-2-bromo-4,5,6,7-tetrahydro-5,6-d2-, (4Z)- [ACD/Index Name]
(4Z)-4-(2-amino-4-oxo-1H-imidazol-5-ylidene)-2-bromo-5,5,6,6-tetradeuterio-1,7-dihydropyrrolo[2,3-c]azepin-8-one
1185240-30-5 [RN]

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.912
Molar Refractivity: 69.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 50.31
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 50.31
Polar Surface Area: 112 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 92.5±7.0 dyne/cm
Molar Volume: 147.0±7.0 cm3

Click to predict properties on the Chemicalize site


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