ChemSpider 2D Image | Butyl 2-{[4-({[(2-methyl-2-propanyl)carbamoyl](tetrahydro-2-furanylmethyl)amino}methyl)phenoxy]sulfonyl}benzoate | C28H38N2O7S

Butyl 2-{[4-({[(2-methyl-2-propanyl)carbamoyl](tetrahydro-2-furanylmethyl)amino}methyl)phenoxy]sulfonyl}benzoate

  • Molecular FormulaC28H38N2O7S
  • Average mass546.675 Da
  • Monoisotopic mass546.239990 Da
  • ChemSpider ID29245630

More details:

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

2-{[4-({[(2-Méthyl-2-propanyl)carbamoyl](tétrahydro-2-furanylméthyl)amino}méthyl)phénoxy]sulfonyl}benzoate de butyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[4-[[[[(1,1-dimethylethyl)amino]carbonyl][(tetrahydro-2-furanyl)methyl]amino]methyl]phenoxy]sulfonyl]-, butyl ester [ACD/Index Name]
Butyl 2-{[4-({[(2-methyl-2-propanyl)carbamoyl](tetrahydro-2-furanylmethyl)amino}methyl)phenoxy]sulfonyl}benzoate [ACD/IUPAC Name]
Butyl-2-{[4-({[(2-methyl-2-propanyl)carbamoyl](tetrahydro-2-furanylmethyl)amino}methyl)phenoxy]sulfonyl}benzoat [German] [ACD/IUPAC 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: 731.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.3±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 145.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2047.93
ACD/KOC (pH 5.5): 8162.75
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2047.93
ACD/KOC (pH 7.4): 8162.73
Polar Surface Area: 120 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 454.9±3.0 cm3

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