ChemSpider 2D Image | ({4-[3-(3-Cyclopentylpropyl)-2-oxo-1-imidazolidinyl]phenyl}sulfonyl)[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]ammonio}ethyl)phenyl]azanide | C32H41N5O4S

({4-[3-(3-Cyclopentylpropyl)-2-oxo-1-imidazolidinyl]phenyl}sulfonyl)[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]ammonio}ethyl)phenyl]azanide

  • Molecular FormulaC32H41N5O4S
  • Average mass591.764 Da
  • Monoisotopic mass591.287903 Da
  • ChemSpider ID62423558

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

({4-[3-(3-Cyclopentylpropyl)-2-oxo-1-imidazolidinyl]phenyl}sulfonyl)[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]ammonio}ethyl)phenyl]azanid [German] [ACD/IUPAC Name]
({4-[3-(3-Cyclopentylpropyl)-2-oxo-1-imidazolidinyl]phenyl}sulfonyl)[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]ammonio}ethyl)phenyl]azanide [ACD/IUPAC Name]
({4-[3-(3-Cyclopentylpropyl)-2-oxo-1-imidazolidinyl]phényl}sulfonyl)[4-(2-{[(2R)-2-hydroxy-2-(3-pyridinyl)éthyl]ammonio}éthyl)phényl]azanide [French] [ACD/IUPAC Name]
3-Pyridineethanaminium, N-[2-[4-[[[4-[3-(3-cyclopentylpropyl)-2-oxo-1-imidazolidinyl]phenyl]sulfonyl]amino]phenyl]ethyl]-β-hydroxy-, inner salt, (βR)- [ACD/Index Name]

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

Density:
Boiling Point: 771.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 420.2±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 1.39
ACD/KOC (pH 5.5): 7.03
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 64.41
ACD/KOC (pH 7.4): 326.63
Polar Surface Area: 116 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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