ChemSpider 2D Image | 3-[2-(3,4-Dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one | C25H29N3O7S2

3-[2-(3,4-Dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one

  • Molecular FormulaC25H29N3O7S2
  • Average mass547.644 Da
  • Monoisotopic mass547.144714 Da
  • ChemSpider ID29403117

More details:

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

3,10-Diazabicyclo[4.3.1]decan-2-one, 10-[(2,3-dihydro-2-oxo-6-benzothiazolyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]- [ACD/Index Name]
3-[2-(3,4-Dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-on [German] [ACD/IUPAC Name]
3-[2-(3,4-Dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one [ACD/IUPAC Name]
3-[2-(3,4-Diméthoxyphénoxy)éthyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]décan-2-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: 1.614
Molar Refractivity: 139.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 78.90
ACD/KOC (pH 5.5): 793.45
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.27
ACD/KOC (pH 7.4): 787.10
Polar Surface Area: 148 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 399.4±3.0 cm3

Click to predict properties on the Chemicalize site


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