ChemSpider 2D Image | 1-(4-{4-[(4-{[2-(7-Chloro-4-quinolinyl)hydrazino]methyl}phenoxy)methyl]-1H-1,2,3-triazol-1-yl}butyl)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one | C31H29ClFN7O3

1-(4-{4-[(4-{[2-(7-Chloro-4-quinolinyl)hydrazino]methyl}phenoxy)methyl]-1H-1,2,3-triazol-1-yl}butyl)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one

  • Molecular FormulaC31H29ClFN7O3
  • Average mass602.058 Da
  • Monoisotopic mass601.200439 Da
  • ChemSpider ID31138960

More details:

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

1-(4-{4-[(4-{[2-(7-Chlor-4-chinolinyl)hydrazino]methyl}phenoxy)methyl]-1H-1,2,3-triazol-1-yl}butyl)-5-fluor-3-hydroxy-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
1-(4-{4-[(4-{[2-(7-Chloro-4-quinoléinyl)hydrazino]méthyl}phénoxy)méthyl]-1H-1,2,3-triazol-1-yl}butyl)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
1-(4-{4-[(4-{[2-(7-Chloro-4-quinolinyl)hydrazino]methyl}phenoxy)methyl]-1H-1,2,3-triazol-1-yl}butyl)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
2H-Indol-2-one, 1-[4-[4-[[4-[[2-(7-chloro-4-quinolinyl)hydrazinyl]methyl]phenoxy]methyl]-1H-1,2,3-triazol-1-yl]butyl]-5-fluoro-1,3-dihydro-3-hydroxy- [ACD/Index 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: 787.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 429.9±35.7 °C
Index of Refraction: 1.696
Molar Refractivity: 160.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 87.49
ACD/KOC (pH 5.5): 472.55
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 645.91
ACD/KOC (pH 7.4): 3488.66
Polar Surface Area: 117 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 417.9±7.0 cm3

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