ChemSpider 2D Image | 2-[(4-Acetamidophenyl)amino]-2-oxoethyl 3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoate | C27H33N3O6S

2-[(4-Acetamidophenyl)amino]-2-oxoethyl 3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoate

  • Molecular FormulaC27H33N3O6S
  • Average mass527.632 Da
  • Monoisotopic mass527.208984 Da
  • ChemSpider ID2781585

More details:

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

2-[(4-Acetamidophenyl)amino]-2-oxoethyl 3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoate [ACD/IUPAC Name]
2-[(4-Acetamidophenyl)amino]-2-oxoethyl-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoat [German] [ACD/IUPAC Name]
3-[(1,3,3-Triméthyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoate de 2-[(4-acétamidophényl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]-, 2-[[4-(acetylamino)phenyl]amino]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.606
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 505.00
ACD/KOC (pH 5.5): 2996.46
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 505.03
ACD/KOC (pH 7.4): 2996.64
Polar Surface Area: 130 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 402.9±3.0 cm3

Click to predict properties on the Chemicalize site


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