ChemSpider 2D Image | 3-[(4-Bromo-2-chloro-1,5-cyclohexadien-1-yl)methyl]-2-methyl-N-[(1E)-1-penten-1-ylsulfonyl]-1H-indole-5-carboxamide | C22H24BrClN2O3S

3-[(4-Bromo-2-chloro-1,5-cyclohexadien-1-yl)methyl]-2-methyl-N-[(1E)-1-penten-1-ylsulfonyl]-1H-indole-5-carboxamide

  • Molecular FormulaC22H24BrClN2O3S
  • Average mass511.860 Da
  • Monoisotopic mass510.037933 Da
  • ChemSpider ID8068272

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Indole-5-carboxamide, 3-[(4-bromo-2-chloro-1,5-cyclohexadien-1-yl)methyl]-2-methyl-N-[(1E)-1-penten-1-ylsulfonyl]- [ACD/Index Name]
3-[(4-Brom-2-chlor-1,5-cyclohexadien-1-yl)methyl]-2-methyl-N-[(1E)-1-penten-1-ylsulfonyl]-1H-indol-5-carboxamid [German] [ACD/IUPAC Name]
3-[(4-Bromo-2-chloro-1,5-cyclohexadien-1-yl)methyl]-2-methyl-N-[(1E)-1-penten-1-ylsulfonyl]-1H-indole-5-carboxamide [ACD/IUPAC Name]
3-[(4-Bromo-2-chloro-1,5-cyclohexadién-1-yl)méthyl]-2-méthyl-N-[(1E)-1-pentén-1-ylsulfonyl]-1H-indole-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 274.61
ACD/KOC (pH 5.5): 630.01
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 144.68
ACD/KOC (pH 7.4): 331.93
Polar Surface Area: 87 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 341.0±5.0 cm3

Click to predict properties on the Chemicalize site


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