ChemSpider 2D Image | 4,5-Dibromo-1-methyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1H-pyrrole-2-carboxamide | C19H19Br2N5O

4,5-Dibromo-1-methyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1H-pyrrole-2-carboxamide

  • Molecular FormulaC19H19Br2N5O
  • Average mass493.195 Da
  • Monoisotopic mass490.995605 Da
  • ChemSpider ID21965358

More details:

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

1H-Pyrrole-2-carboxamide, 4,5-dibromo-1-methyl-N-[4-(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)phenyl]- [ACD/Index Name]
4,5-Dibrom-1-methyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4,5-Dibromo-1-methyl-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4,5-Dibromo-1-méthyl-N-[4-(6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-3-yl)phényl]-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.733
Molar Refractivity: 112.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 789.06
ACD/KOC (pH 5.5): 4117.79
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 793.40
ACD/KOC (pH 7.4): 4140.47
Polar Surface Area: 65 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 281.6±7.0 cm3

Click to predict properties on the Chemicalize site


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