ChemSpider 2D Image | 2-({4-[(3-Ethoxypropyl)carbamoyl]-1-piperidinyl}sulfonyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid | C26H35N3O6S

2-({4-[(3-Ethoxypropyl)carbamoyl]-1-piperidinyl}sulfonyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid

  • Molecular FormulaC26H35N3O6S
  • Average mass517.638 Da
  • Monoisotopic mass517.224670 Da
  • ChemSpider ID20280540

More details:

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

2-({4-[(3-Ethoxypropyl)carbamoyl]-1-piperidinyl}sulfonyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]chinolin-11-carbonsäure [German] [ACD/IUPAC Name]
2-({4-[(3-Ethoxypropyl)carbamoyl]-1-piperidinyl}sulfonyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid [ACD/IUPAC Name]
6H-Cyclohepta[b]quinoline-11-carboxylic acid, 2-[[4-[[(3-ethoxypropyl)amino]carbonyl]-1-piperidinyl]sulfonyl]-7,8,9,10-tetrahydro- [ACD/Index Name]
Acide 2-({4-[(3-éthoxypropyl)carbamoyl]-1-pipéridinyl}sulfonyl)-7,8,9,10-tétrahydro-6H-cyclohepta[b]quinoléine-11-carboxylique [French] [ACD/IUPAC 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: 1.595
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.31
ACD/KOC (pH 5.5): 7.39
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.51
Polar Surface Area: 134 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 401.7±3.0 cm3

Click to predict properties on the Chemicalize site


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