ChemSpider 2D Image | N,N'-(3S,4S)-3,4-Pyrrolidinediylbis(4-amino-N-benzylbenzenesulfonamide) | C30H33N5O4S2

N,N'-(3S,4S)-3,4-Pyrrolidinediylbis(4-amino-N-benzylbenzenesulfonamide)

  • Molecular FormulaC30H33N5O4S2
  • Average mass591.744 Da
  • Monoisotopic mass591.197388 Da
  • ChemSpider ID25049602

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzenesulfonamide, N,N'-(3S,4S)-3,4-pyrrolidinediylbis[4-amino-N-(phenylmethyl)- [ACD/Index Name]
N,N'-(3S,4S)-3,4-Pyrrolidindiylbis(4-amino-N-benzylbenzolsulfonamid) [German] [ACD/IUPAC Name]
N,N'-(3S,4S)-3,4-Pyrrolidinediylbis(4-amino-N-benzylbenzenesulfonamide) [ACD/IUPAC Name]
N,N'-(3S,4S)-3,4-Pyrrolidinediylbis(4-amino-N-benzylbenzènesulfonamide) [French] [ACD/IUPAC Name]
N,N'-(3s,4s)-Pyrrolidine-3,4-Diylbis(4-Amino-N-Benzylbenzenesulfonamide)
G3G

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

Density: 1.4±0.1 g/cm3
Boiling Point: 821.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 450.3±37.1 °C
Index of Refraction: 1.719
Molar Refractivity: 162.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 7.14
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 57.01
ACD/KOC (pH 7.4): 339.92
Polar Surface Area: 156 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 78.4±5.0 dyne/cm
Molar Volume: 412.8±5.0 cm3

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