ChemSpider 2D Image | N,N'-{[(4R,5R,6S)-2-Amino-4-(2-amino-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-5,6-diyl]bis(methylene)}bis(4-bromo-1H-pyrrole-2-carboxamide) | C22H24Br2N10O2

N,N'-{[(4R,5R,6S)-2-Amino-4-(2-amino-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-5,6-diyl]bis(methylene)}bis(4-bromo-1H-pyrrole-2-carboxamide)

  • Molecular FormulaC22H24Br2N10O2
  • Average mass620.300 Da
  • Monoisotopic mass618.045044 Da
  • ChemSpider ID9344613
  • defined stereocentres - 3 of 3 defined stereocentres


More details:



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1H-Pyrrole-2-carboxamide, N,N'-[[(4R,5R,6S)-2-amino-4-(2-amino-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-5,6-diyl]bis(methylene)]bis[4-bromo- [ACD/Index Name]
N,N'-{[(4R,5R,6S)-2-Amino-4-(2-amino-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-benzimidazol-5,6-diyl]dimethylen}bis(4-brom-1H-pyrrol-2-carboxamid) [German] [ACD/IUPAC Name]
N,N'-{[(4R,5R,6S)-2-Amino-4-(2-amino-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-benzimidazole-5,6-diyl]bis(methylene)}bis(4-bromo-1H-pyrrole-2-carboxamide) [ACD/IUPAC Name]
N,N'-{[(4R,5R,6S)-2-Amino-4-(2-amino-1H-imidazol-5-yl)-4,5,6,7-tétrahydro-1H-benzimidazole-5,6-diyl]diméthylène}bis(4-bromo-1H-pyrrole-2-carboxamide) [French] [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.743
Molar Refractivity: 141.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.26
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.51
Polar Surface Area: 199 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 89.3±3.0 dyne/cm
Molar Volume: 348.7±3.0 cm3

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