ChemSpider 2D Image | 5-Oxo-5-[(1-oxo-1-{[2-oxo-4-(trifluoromethyl)-1,2-dihydro-7-quinolinyl]amino}-3-phenyl-2-propanyl)amino]pentanoic acid | C24H22F3N3O5

5-Oxo-5-[(1-oxo-1-{[2-oxo-4-(trifluoromethyl)-1,2-dihydro-7-quinolinyl]amino}-3-phenyl-2-propanyl)amino]pentanoic acid

  • Molecular FormulaC24H22F3N3O5
  • Average mass489.444 Da
  • Monoisotopic mass489.151154 Da
  • ChemSpider ID28567412

More details:

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

5-Oxo-5-[(1-oxo-1-{[2-oxo-4-(trifluormethyl)-1,2-dihydro-7-chinolinyl]amino}-3-phenyl-2-propanyl)amino]pentansäure [German] [ACD/IUPAC Name]
5-Oxo-5-[(1-oxo-1-{[2-oxo-4-(trifluoromethyl)-1,2-dihydro-7-quinolinyl]amino}-3-phenyl-2-propanyl)amino]pentanoic acid [ACD/IUPAC Name]
Acide 5-oxo-5-[(1-oxo-1-{[2-oxo-4-(trifluorométhyl)-1,2-dihydro-7-quinoléinyl]amino}-3-phényl-2-propanyl)amino]pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[[2-[[1,2-dihydro-2-oxo-4-(trifluoromethyl)-7-quinolinyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]-5-oxo- [ACD/Index Name]
1247-97-8 [RN]
5-OXO-5-{[(2S)-1-OXO-1-{[2-OXO-4-(TRIFLUOROMETHYL)-1,2-DIHYDROQUINOLIN-7-YL]AMINO}-3-PHENYLPROPAN-2-YL]AMINO}PENTANOIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 784.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 428.3±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 118.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 5.04
ACD/KOC (pH 5.5): 59.15
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 125 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 346.9±3.0 cm3

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