ChemSpider 2D Image | N-{[(4S,5R,6S)-2-Amino-4-(2-amino-1H-imidazol-4-yl)-5-({[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}methyl)-4,5,6,7-tetrahydro-1H-benzimidazol-6-yl]methyl}-3,4-dibromo-1H-pyrrole-2-carboxamide | C22H22Br4N10O2

N-{[(4S,5R,6S)-2-Amino-4-(2-amino-1H-imidazol-4-yl)-5-({[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}methyl)-4,5,6,7-tetrahydro-1H-benzimidazol-6-yl]methyl}-3,4-dibromo-1H-pyrrole-2-carboxamide

  • Molecular FormulaC22H22Br4N10O2
  • Average mass778.092 Da
  • Monoisotopic mass773.866028 Da
  • ChemSpider ID25035792

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxamide, N-[[(5S,6R,7S)-2-amino-7-(2-amino-1H-imidazol-4-yl)-6-[[[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-3,4-dibromo- [ACD/Index Name]
N-{[(4S,5R,6S)-2-Amino-4-(2-amino-1H-imidazol-4-yl)-5-({[(4,5-dibrom-1H-pyrrol-2-yl)carbonyl]amino}methyl)-4,5,6,7-tetrahydro-1H-benzimidazol-6-yl]methyl}-3,4-dibrom-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
N-{[(4S,5R,6S)-2-Amino-4-(2-amino-1H-imidazol-4-yl)-5-({[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}methyl)-4,5,6,7-tetrahydro-1H-benzimidazol-6-yl]methyl}-3,4-dibromo-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
N-{[(4S,5R,6S)-2-Amino-4-(2-amino-1H-imidazol-4-yl)-5-({[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}méthyl)-4,5,6,7-tétrahydro-1H-benzimidazol-6-yl]méthyl}-3,4-dibromo-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.757
Molar Refractivity: 156.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.67
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 4.79
ACD/KOC (pH 7.4): 39.85
Polar Surface Area: 199 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 89.7±3.0 dyne/cm
Molar Volume: 381.1±3.0 cm3

Click to predict properties on the Chemicalize site


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