ChemSpider 2D Image | Ethyl 3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-2-({4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl}amino)-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate | C33H41N5O6S2

Ethyl 3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-2-({4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl}amino)-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate

  • Molecular FormulaC33H41N5O6S2
  • Average mass667.839 Da
  • Monoisotopic mass667.249817 Da
  • ChemSpider ID4391692

More details:






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

3-[(3,5-Diméthyl-1H-pyrazol-1-yl)carbonyl]-2-({4-[(1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl}amino)-4,7-dihydrothiéno[2,3-c]pyridine-6(5H)-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-2-({4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl}amino)-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate [ACD/IUPAC Name]
Ethyl-3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-2-({4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl}amino)-4,7-dihydrothieno[2,3-c]pyridin-6(5H)-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-6(5H)-carboxylic acid, 3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-4,7-dihydro-2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl]amino]-, ethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.682
Molar Refractivity: 178.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 6.54
ACD/BCF (pH 5.5): 55309.14
ACD/KOC (pH 5.5): 86392.35
ACD/LogD (pH 7.4): 6.54
ACD/BCF (pH 7.4): 55306.16
ACD/KOC (pH 7.4): 86387.70
Polar Surface Area: 168 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 471.9±7.0 cm3

Click to predict properties on the Chemicalize site






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