ChemSpider 2D Image | 2-{[N-(2,5-Dimethylphenyl)-N-(dimethylsulfamoyl)glycyl](4-fluorobenzyl)amino}-N-(2-methyl-2-propanyl)butanamide | C27H39FN4O4S

2-{[N-(2,5-Dimethylphenyl)-N-(dimethylsulfamoyl)glycyl](4-fluorobenzyl)amino}-N-(2-methyl-2-propanyl)butanamide

  • Molecular FormulaC27H39FN4O4S
  • Average mass534.686 Da
  • Monoisotopic mass534.267578 Da
  • ChemSpider ID68302415

More details:

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

2-{[N-(2,5-Dimethylphenyl)-N-(dimethylsulfamoyl)glycyl](4-fluorbenzyl)amino}-N-(2-methyl-2-propanyl)butanamid [German] [ACD/IUPAC Name]
2-{[N-(2,5-Dimethylphenyl)-N-(dimethylsulfamoyl)glycyl](4-fluorobenzyl)amino}-N-(2-methyl-2-propanyl)butanamide [ACD/IUPAC Name]
2-{[N-(2,5-Diméthylphényl)-N-(diméthylsulfamoyl)glycyl](4-fluorobenzyl)amino}-N-(2-méthyl-2-propanyl)butanamide [French] [ACD/IUPAC Name]
Butanamide, 2-[[2-[[(dimethylamino)sulfonyl](2,5-dimethylphenyl)amino]acetyl][(4-fluorophenyl)methyl]amino]-N-(1,1-dimethylethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 706.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.8±32.9 °C
Index of Refraction: 1.566
Molar Refractivity: 145.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 612.38
ACD/KOC (pH 5.5): 3439.95
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 612.38
ACD/KOC (pH 7.4): 3439.96
Polar Surface Area: 98 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 445.5±3.0 cm3

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