ChemSpider 2D Image | 2-Methoxy-5-({[(2-methyl-2-propanyl)carbamoyl](tetrahydro-2-furanylmethyl)amino}methyl)phenyl 4-methoxybenzenesulfonate | C25H34N2O7S

2-Methoxy-5-({[(2-methyl-2-propanyl)carbamoyl](tetrahydro-2-furanylmethyl)amino}methyl)phenyl 4-methoxybenzenesulfonate

  • Molecular FormulaC25H34N2O7S
  • Average mass506.612 Da
  • Monoisotopic mass506.208679 Da
  • ChemSpider ID21544673

More details:

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

2-Methoxy-5-({[(2-methyl-2-propanyl)carbamoyl](tetrahydro-2-furanylmethyl)amino}methyl)phenyl 4-methoxybenzenesulfonate [ACD/IUPAC Name]
2-Methoxy-5-({[(2-methyl-2-propanyl)carbamoyl](tetrahydro-2-furanylmethyl)amino}methyl)phenyl-4-methoxybenzolsulfonat [German] [ACD/IUPAC Name]
4-Méthoxybenzènesulfonate de 2-méthoxy-5-({[(2-méthyl-2-propanyl)carbamoyl](tétrahydro-2-furanylméthyl)amino}méthyl)phényle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-methoxy-, 5-[[[[(1,1-dimethylethyl)amino]carbonyl][(tetrahydro-2-furanyl)methyl]amino]methyl]-2-methoxyphenyl ester [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: 712.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.8±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 318.82
ACD/KOC (pH 5.5): 2155.97
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 318.82
ACD/KOC (pH 7.4): 2155.96
Polar Surface Area: 112 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 415.5±3.0 cm3

Click to predict properties on the Chemicalize site


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