Found 9 results

Search term: MF = 'C_{24}H_{21}BrN_{2}O_{5}S_{2}'
ChemSpider 2D Image | 3-{[5-Bromo-2-oxo-1'-(2-thienylsulfonyl)spiro[indole-3,4'-piperidin]-1(2H)-yl]methyl}benzoic acid | C24H21BrN2O5S2

3-{[5-Bromo-2-oxo-1'-(2-thienylsulfonyl)spiro[indole-3,4'-piperidin]-1(2H)-yl]methyl}benzoic acid

  • Molecular FormulaC24H21BrN2O5S2
  • Average mass561.468 Da
  • Monoisotopic mass560.007507 Da
  • ChemSpider ID61729556

More details:

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

3-{[5-Brom-2-oxo-1'-(2-thienylsulfonyl)spiro[indole-3,4'-piperidin]-1(2H)-yl]methyl}benzoesäure [German] [ACD/IUPAC Name]
3-{[5-Bromo-2-oxo-1'-(2-thienylsulfonyl)spiro[indole-3,4'-piperidin]-1(2H)-yl]methyl}benzoic acid [ACD/IUPAC Name]
Acide 3-{[5-bromo-2-oxo-1'-(2-thiénylsulfonyl)spiro[indole-3,4'-piperidin]-1(2H)-yl]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[5-bromo-2-oxo-1'-(2-thienylsulfonyl)spiro[3H-indole-3,4'-piperidin]-1(2H)-yl]methyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 826.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 453.4±37.1 °C
Index of Refraction: 1.749
Molar Refractivity: 133.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 168.68
ACD/KOC (pH 5.5): 551.24
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 5.09
ACD/KOC (pH 7.4): 16.63
Polar Surface Area: 132 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 87.1±5.0 dyne/cm
Molar Volume: 327.8±5.0 cm3

Click to predict properties on the Chemicalize site


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