ChemSpider 2D Image | 4,4'-[(3S,4S)-3,4-Pyrrolidinediylbis(benzylsulfamoyl)]dibenzamide | C32H33N5O6S2

4,4'-[(3S,4S)-3,4-Pyrrolidinediylbis(benzylsulfamoyl)]dibenzamide

  • Molecular FormulaC32H33N5O6S2
  • Average mass647.764 Da
  • Monoisotopic mass647.187195 Da
  • ChemSpider ID25047274
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

4,4'-[(3S,4S)-3,4-Pyrrolidindiylbis(benzylsulfamoyl)]dibenzamid [German] [ACD/IUPAC Name]
4,4'-[(3S,4S)-3,4-Pyrrolidinediylbis(benzylsulfamoyl)]dibenzamide [ACD/IUPAC Name]
4,4'-[(3S,4S)-3,4-Pyrrolidinediylbis(benzylsulfamoyl)]dibenzamide [French] [ACD/IUPAC Name]
4,4'-{(3s,4s)-Pyrrolidine-3,4-Diylbis[(Benzylimino)sulfonyl]}dibenzamide
Benzamide, 4,4'-[(3S,4S)-3,4-pyrrolidinediylbis[[(phenylmethyl)imino]sulfonyl]]bis- [ACD/Index Name]
G4G

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 881.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±3.0 kJ/mol
Flash Point: 487.0±37.1 °C
Index of Refraction: 1.716
Molar Refractivity: 172.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.29
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 23.16
ACD/KOC (pH 7.4): 217.89
Polar Surface Area: 190 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 438.3±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement