ChemSpider 2D Image | 1-(Allylamino)-1-oxo-2-propanyl 4-bromo-3-(4-morpholinylsulfonyl)benzoate | C17H21BrN2O6S

1-(Allylamino)-1-oxo-2-propanyl 4-bromo-3-(4-morpholinylsulfonyl)benzoate

  • Molecular FormulaC17H21BrN2O6S
  • Average mass461.327 Da
  • Monoisotopic mass460.030365 Da
  • ChemSpider ID22045018

More details:

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

1-(Allylamino)-1-oxo-2-propanyl 4-bromo-3-(4-morpholinylsulfonyl)benzoate [ACD/IUPAC Name]
1-(Allylamino)-1-oxo-2-propanyl-4-brom-3-(4-morpholinylsulfonyl)benzoat [German] [ACD/IUPAC Name]
4-Bromo-3-(4-morpholinylsulfonyl)benzoate de 1-(allylamino)-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-bromo-3-(4-morpholinylsulfonyl)-, 1-methyl-2-oxo-2-(2-propen-1-ylamino)ethyl ester [ACD/Index 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: 1.571
Molar Refractivity: 103.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.42
ACD/KOC (pH 5.5): 342.72
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.42
ACD/KOC (pH 7.4): 342.72
Polar Surface Area: 110 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 313.8±3.0 cm3

Click to predict properties on the Chemicalize site


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