ChemSpider 2D Image | (1S,5S,6R)-10-[(3,5-Dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one | C26H32Cl2N2O6S

(1S,5S,6R)-10-[(3,5-Dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one

  • Molecular FormulaC26H32Cl2N2O6S
  • Average mass571.513 Da
  • Monoisotopic mass570.135803 Da
  • ChemSpider ID35035185
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1S,5S,6R)-10-[(3,5-Dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one [ACD/IUPAC Name]
(1S,5S,6R)-10-[(3,5-Dichlorophényl)sulfonyl]-3-[2-(3,4-diméthoxyphénoxy)éthyl]-5-éthyl-3,10-diazabicyclo[4.3.1]décan-2-one [French] [ACD/IUPAC Name]
(1S,5S,6R)-10-[(3,5-Dichlorphenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-on [German] [ACD/IUPAC Name]
3,10-Diazabicyclo[4.3.1]decan-2-one, 10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-, (1S,5S,6R)- [ACD/Index Name]
3JP

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

Density: 1.3±0.1 g/cm3
Boiling Point: 722.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.4±35.7 °C
Index of Refraction: 1.567
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16483.49
ACD/KOC (pH 5.5): 36320.44
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16483.49
ACD/KOC (pH 7.4): 36320.44
Polar Surface Area: 94 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 439.8±3.0 cm3

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