ChemSpider 2D Image | 6-({3-[2-(3,4-Dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one | C24H27N3O7S2

6-({3-[2-(3,4-Dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one

  • Molecular FormulaC24H27N3O7S2
  • Average mass533.617 Da
  • Monoisotopic mass533.129028 Da
  • ChemSpider ID29407768

More details:

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

3,9-Diazabicyclo[3.3.1]nonan-2-one, 9-[(2,3-dihydro-2-oxo-6-benzothiazolyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]- [ACD/Index Name]
6-({3-[2-(3,4-Dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-on [German] [ACD/IUPAC Name]
6-({3-[2-(3,4-Dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one [ACD/IUPAC Name]
6-({3-[2-(3,4-Diméthoxyphénoxy)éthyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.52
ACD/KOC (pH 5.5): 526.76
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.13
ACD/KOC (pH 7.4): 522.17
Polar Surface Area: 148 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 381.6±3.0 cm3

Click to predict properties on the Chemicalize site


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