ChemSpider 2D Image | benzosceptrin C | C22H18Br4N10O2

benzosceptrin C

  • Molecular FormulaC22H18Br4N10O2
  • Average mass774.060 Da
  • Monoisotopic mass769.834717 Da
  • ChemSpider ID24672247
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

benzosceptrin C
N,N'-{[(7R,8R)-2,5-Diamino-1,4,7,8-tetrahydrocyclobuta[e]imidazo[4,5-g]benzimidazol-7,8-diyl]dimethylen}bis(4,5-dibrom-1H-pyrrol-2-carboxamid) [German] [ACD/IUPAC Name]
N,N'-{[(7R,8R)-2,5-Diamino-1,4,7,8-tetrahydrocyclobuta[e]imidazo[4,5-g]benzimidazole-7,8-diyl]bis(methylene)}bis(4,5-dibromo-1H-pyrrole-2-carboxamide) [ACD/IUPAC Name]
N,N'-{[(7R,8R)-2,5-Diamino-1,4,7,8-tétrahydrocyclobuta[e]imidazo[4,5-g]benzimidazole-7,8-diyl]diméthylène}bis(4,5-dibromo-1H-pyrrole-2-carboxamide) [French] [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.867
Molar Refractivity: 158.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 34.12
ACD/KOC (pH 7.4): 234.66
Polar Surface Area: 199 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 108.0±3.0 dyne/cm
Molar Volume: 349.7±3.0 cm3

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