ChemSpider 2D Image | N-{4-[(4-Fluorophenyl)amino]-4-oxobutanoyl}-N-(4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl)glycine | C16H19FN2O7S

N-{4-[(4-Fluorophenyl)amino]-4-oxobutanoyl}-N-(4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl)glycine

  • Molecular FormulaC16H19FN2O7S
  • Average mass402.395 Da
  • Monoisotopic mass402.089691 Da
  • ChemSpider ID120493553

More details:

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

Glycine, N-[4-[(4-fluorophenyl)amino]-1,4-dioxobutyl]-N-(tetrahydro-4-hydroxy-1,1-dioxido-3-thienyl)- [ACD/Index Name]
N-{4-[(4-Fluorophenyl)amino]-4-oxobutanoyl}-N-(4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl)glycine [ACD/IUPAC Name]
N-{4-[(4-Fluorophényl)amino]-4-oxobutanoyl}-N-(4-hydroxy-1,1-dioxydotétrahydro-3-thiophényl)glycine [French] [ACD/IUPAC Name]
N-{4-[(4-Fluorphenyl)amino]-4-oxobutanoyl}-N-(4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl)glycin [German] [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: 808.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 442.4±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 90.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -3.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 73.6±5.0 dyne/cm
Molar Volume: 260.1±5.0 cm3

Click to predict properties on the Chemicalize site


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