ChemSpider 2D Image | 5-{[(Isopropylcarbamoyl)(tetrahydro-2-furanylmethyl)amino]methyl}-2-methoxyphenyl 2-propanesulfonate | C20H32N2O6S

5-{[(Isopropylcarbamoyl)(tetrahydro-2-furanylmethyl)amino]methyl}-2-methoxyphenyl 2-propanesulfonate

  • Molecular FormulaC20H32N2O6S
  • Average mass428.543 Da
  • Monoisotopic mass428.198120 Da
  • ChemSpider ID21544691

More details:

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

2-Propanesulfonate de 5-{[(isopropylcarbamoyl)(tétrahydro-2-furanylméthyl)amino]méthyl}-2-méthoxyphényle [French] [ACD/IUPAC Name]
2-Propanesulfonic acid, 2-methoxy-5-[[[[(1-methylethyl)amino]carbonyl][(tetrahydro-2-furanyl)methyl]amino]methyl]phenyl ester [ACD/Index Name]
5-{[(Isopropylcarbamoyl)(tetrahydro-2-furanylmethyl)amino]methyl}-2-methoxyphenyl 2-propanesulfonate [ACD/IUPAC Name]
5-{[(Isopropylcarbamoyl)(tetrahydro-2-furanylmethyl)amino]methyl}-2-methoxyphenyl-2-propansulfonat [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: 642.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.0±31.5 °C
Index of Refraction: 1.530
Molar Refractivity: 111.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.77
ACD/KOC (pH 5.5): 385.42
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.77
ACD/KOC (pH 7.4): 385.42
Polar Surface Area: 103 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 360.1±3.0 cm3

Click to predict properties on the Chemicalize site


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