ChemSpider 2D Image | 4-Chloro-2-{[(ethylcarbamoyl)(tetrahydro-2-furanylmethyl)amino]methyl}phenyl 4-acetamidobenzenesulfonate | C23H28ClN3O6S

4-Chloro-2-{[(ethylcarbamoyl)(tetrahydro-2-furanylmethyl)amino]methyl}phenyl 4-acetamidobenzenesulfonate

  • Molecular FormulaC23H28ClN3O6S
  • Average mass510.003 Da
  • Monoisotopic mass509.138733 Da
  • ChemSpider ID21545170

More details:

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

4-Acétamidobenzènesulfonate de 4-chloro-2-{[(éthylcarbamoyl)(tétrahydro-2-furanylméthyl)amino]méthyl}phényle [French] [ACD/IUPAC Name]
4-Chlor-2-{[(ethylcarbamoyl)(tetrahydro-2-furanylmethyl)amino]methyl}phenyl-4-acetamidobenzolsulfonat [German] [ACD/IUPAC Name]
4-Chloro-2-{[(ethylcarbamoyl)(tetrahydro-2-furanylmethyl)amino]methyl}phenyl 4-acetamidobenzenesulfonate [ACD/IUPAC Name]
Benzenesulfonic acid, 4-(acetylamino)-, 4-chloro-2-[[[(ethylamino)carbonyl][(tetrahydro-2-furanyl)methyl]amino]methyl]phenyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 784.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 428.5±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 136.67
ACD/KOC (pH 5.5): 1175.78
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 136.67
ACD/KOC (pH 7.4): 1175.77
Polar Surface Area: 122 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 379.4±3.0 cm3

Click to predict properties on the Chemicalize site


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