ChemSpider 2D Image | Ethyl 1-({[4-(4-{[(2R)-2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl]amino}-1-piperidinyl)phenyl]sulfonyl}amino)cyclopentanecarboxylate | C28H40N4O8S2

Ethyl 1-({[4-(4-{[(2R)-2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl]amino}-1-piperidinyl)phenyl]sulfonyl}amino)cyclopentanecarboxylate

  • Molecular FormulaC28H40N4O8S2
  • Average mass624.769 Da
  • Monoisotopic mass624.228760 Da
  • ChemSpider ID8364852

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-({[4-(4-{[(2R)-2-Hydroxy-2-{4-hydroxy-3-[(méthylsulfonyl)amino]phényl}éthyl]amino}-1-pipéridinyl)phényl]sulfonyl}amino)cyclopentanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 1-[[[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-[(methylsulfonyl)amino]phenyl]ethyl]amino]-1-piperidinyl]phenyl]sulfonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 1-({[4-(4-{[(2R)-2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl]amino}-1-piperidinyl)phenyl]sulfonyl}amino)cyclopentanecarboxylate [ACD/IUPAC Name]
Ethyl-1-({[4-(4-{[(2R)-2-hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]phenyl}ethyl]amino}-1-piperidinyl)phenyl]sulfonyl}amino)cyclopentancarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 811.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.7±3.0 kJ/mol
Flash Point: 444.7±37.1 °C
Index of Refraction: 1.647
Molar Refractivity: 158.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.47
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.68
Polar Surface Area: 191 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 437.0±5.0 cm3

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