ChemSpider 2D Image | (1S,5S,6R)-10-[(3,5-Dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | C20H28Cl2N2O6S

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

  • Molecular FormulaC20H28Cl2N2O6S
  • Average mass495.417 Da
  • Monoisotopic mass494.104523 Da
  • ChemSpider ID35035085
  • 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]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3,10-diazabicyclo[4.3.1]decan-2-one [ACD/IUPAC Name]
(1S,5S,6R)-10-[(3,5-Dichlorophényl)sulfonyl]-5-(2-méthoxyéthoxy)-3-(2-méthoxyéthyl)-3,10-diazabicyclo[4.3.1]décan-2-one [French] [ACD/IUPAC Name]
(1S,5S,6R)-10-[(3,5-Dichlorphenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-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]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-, (1S,5S,6R)- [ACD/Index Name]
384

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

Density: 1.4±0.1 g/cm3
Boiling Point: 638.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.2±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 200.90
ACD/KOC (pH 5.5): 1549.10
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 200.90
ACD/KOC (pH 7.4): 1549.10
Polar Surface Area: 94 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 352.2±5.0 cm3

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