ChemSpider 2D Image | N-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-[(1,1-dioxidotetrahydro-3-thiophenyl)acetyl]alaninamide | C17H21BrN2O6S

N-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-N2-[(1,1-dioxidotetrahydro-3-thiophenyl)acetyl]alaninamide

  • Molecular FormulaC17H21BrN2O6S
  • Average mass461.327 Da
  • Monoisotopic mass460.030365 Da
  • ChemSpider ID120637539

More details:

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

3-Thiopheneacetamide, N-[2-[(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-1-methyl-2-oxoethyl]tetrahydro-, 1,1-dioxide [ACD/Index Name]
N-(7-Brom-2,3-dihydro-1,4-benzodioxin-6-yl)-N2-[(1,1-dioxidotetrahydro-3-thiophenyl)acetyl]alaninamid [German] [ACD/IUPAC Name]
N-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-N2-[(1,1-dioxidotetrahydro-3-thiophenyl)acetyl]alaninamide [ACD/IUPAC Name]
N-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-N2-[2-(1,1-dioxydotétrahydro-3-thiophényl)acétyl]alaninamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 755.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 410.5±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 101.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.02
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.89
ACD/KOC (pH 5.5): 54.83
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.89
ACD/KOC (pH 7.4): 54.82
Polar Surface Area: 119 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 294.8±3.0 cm3

Click to predict properties on the Chemicalize site


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