ChemSpider 2D Image | N-(5-Bromo-2-methoxybenzyl)-N-methyl-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}benzamide | C22H25BrN2O3S

N-(5-Bromo-2-methoxybenzyl)-N-methyl-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}benzamide

  • Molecular FormulaC22H25BrN2O3S
  • Average mass477.414 Da
  • Monoisotopic mass476.076904 Da
  • ChemSpider ID22454806

More details:

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

Benzamide, N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]- [ACD/Index Name]
N-(5-Brom-2-methoxybenzyl)-N-methyl-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}benzamid [German] [ACD/IUPAC Name]
N-(5-Bromo-2-methoxybenzyl)-N-methyl-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}benzamide [ACD/IUPAC Name]
N-(5-Bromo-2-méthoxybenzyl)-N-méthyl-2-{[2-oxo-2-(1-pyrrolidinyl)éthyl]sulfanyl}benzamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 641.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.7±31.5 °C
Index of Refraction: 1.648
Molar Refractivity: 121.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 430.69
ACD/KOC (pH 5.5): 2673.87
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 430.69
ACD/KOC (pH 7.4): 2673.87
Polar Surface Area: 75 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 333.1±5.0 cm3

Click to predict properties on the Chemicalize site


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