ChemSpider 2D Image | 8-({[4-(3-Aminopropoxy)-8-({[4-hydroxy-8-({[4-isobutoxy-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)-2-quinolinyl]carbonyl}amino)-2-quinolinyl]carbonyl}amino)-2-quinolin yl]carbonyl}amino)-4-(carboxymethoxy)-2-quinolinecarboxylic acid | C68H64N12O16S

8-({[4-(3-Aminopropoxy)-8-({[4-hydroxy-8-({[4-isobutoxy-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)-2-quinolinyl]carbonyl}amino)-2-quinolinyl]carbonyl}amino)-2-quinolin yl]carbonyl}amino)-4-(carboxymethoxy)-2-quinolinecarboxylic acid

  • Molecular FormulaC68H64N12O16S
  • Average mass1337.372 Da
  • Monoisotopic mass1336.428345 Da
  • ChemSpider ID35034248

More details:

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

2-Quinolinecarboxylic acid, 8-[[[4-(3-aminopropoxy)-8-[[[8-[[[8-[[[[4-[3-[[[4-(aminosulfonyl)benzoyl]amino]methyl]phenoxy]butyl]amino]carbonyl]amino]-4-(2-methylpropoxy)-2-quinolinyl]carbonyl]amino]-4 -hydroxy-2-quinolinyl]carbonyl]amino]-2-quinolinyl]carbonyl]amino]-4-(carboxymethoxy)- [ACD/Index Name]
8-({[4-(3-Aminopropoxy)-8-({[4-hydroxy-8-({[4-isobutoxy-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)-2-chinolinyl]carbonyl}amino)-2-chinolinyl]carbonyl}amino)-2-chinolin yl]carbonyl}amino)-4-(carboxymethoxy)-2-chinolincarbonsäure [German] [ACD/IUPAC Name]
8-({[4-(3-Aminopropoxy)-8-({[4-hydroxy-8-({[4-isobutoxy-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)-2-quinolinyl]carbonyl}amino)-2-quinolinyl]carbonyl}amino)-2-quinolin yl]carbonyl}amino)-4-(carboxymethoxy)-2-quinolinecarboxylic acid [ACD/IUPAC Name]
Acide 8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-isobutoxy-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]méthyl}phénoxy)butyl]carbamoyl}amino)-2-quinoléinyl]carbonyl}amino)-2-quinoléinyl]carbonyl}amino)-2- quinoléinyl]carbonyl}amino)-4-(carboxyméthoxy)-2-quinoléinecarboxylique [French] [ACD/IUPAC Name]
8-({[4-(3-Aminopropoxy)-8-({[4-Hydroxy-8-({[4-(2-Methylpropoxy)-8-({[4-(3-{[(4-Sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-Yl]carbonyl}amino)quinolin-2-Yl]carbonyl}amino)quinolin-2-Yl]carbonyl}amino)-4-(Carboxymethoxy)quinoline-2-Carboxylic Acid
Q4I

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.712
Molar Refractivity: 354.6±0.4 cm3
#H bond acceptors: 28
#H bond donors: 13
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 4
ACD/LogP: 11.83
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 44.55
ACD/KOC (pH 5.5): 62.63
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 5.05
ACD/KOC (pH 7.4): 7.10
Polar Surface Area: 435 Å2
Polarizability: 140.6±0.5 10-24cm3
Surface Tension: 82.9±3.0 dyne/cm
Molar Volume: 905.9±3.0 cm3

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