ChemSpider 2D Image | FR190997 | C37H33Cl2N5O5

FR190997

  • Molecular FormulaC37H33Cl2N5O5
  • Average mass698.594 Da
  • Monoisotopic mass697.185852 Da
  • ChemSpider ID4470643

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{(1E)-3-[(2-{[2,4-Dichlor-3-({[2-methyl-4-(2-pyridinylmethoxy)-8-chinolinyl]oxy}methyl)phenyl](methyl)amino}-2-oxoethyl)amino]-3-oxo-1-propen-1-yl}-N-methylbenzamid [German] [ACD/IUPAC Name]
4-{(1E)-3-[(2-{[2,4-Dichloro-3-({[2-méthyl-4-(2-pyridinylméthoxy)-8-quinoléinyl]oxy}méthyl)phényl](méthyl)amino}-2-oxoéthyl)amino]-3-oxo-1-propén-1-yl}-N-méthylbenzamide [French] [ACD/IUPAC Name]
4-{(1E)-3-[(2-{[2,4-Dichloro-3-({[2-methyl-4-(2-pyridinylmethoxy)-8-quinolinyl]oxy}methyl)phenyl](methyl)amino}-2-oxoethyl)amino]-3-oxo-1-propen-1-yl}-N-methylbenzamide [ACD/IUPAC Name]
4-{(1E)-3-[(2-{[2,4-dichloro-3-({[2-methyl-4-(pyridin-2-ylmethoxy)quinolin-8-yl]oxy}methyl)phenyl](methyl)amino}-2-oxoethyl)amino]-3-oxoprop-1-en-1-yl}-N-methylbenzamide
Benzamide, 4-[(1E)-3-[[2-[[2,4-dichloro-3-[[[2-methyl-4-(2-pyridinylmethoxy)-8-quinolinyl]oxy]methyl]phenyl]methylamino]-2-oxoethyl]amino]-3-oxo-1-propen-1-yl]-N-methyl- [ACD/Index Name]
FR190997
193344-25-1 [RN]
4-((E)-2-{[({2,4-Dichloro-3-[2-methyl-4-(pyridin-2-ylmethoxy)-quinolin-8-yloxymethyl]-phenyl}-methyl-carbamoyl)-methyl]-carbamoyl}-vinyl)-N-methyl-benzamide
4-[(E)-3-[[2-[[2,4-dichloro-3-[[2-methyl-4-(pyridin-2-ylmethoxy)quinolin-8-yl]oxymethyl]phenyl]-methylamino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[[2-methyl-4-(pyridin-2-ylmethoxy)quinolin-8-yl]oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 942.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.3±3.0 kJ/mol
Flash Point: 524.0±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 193.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 1952.90
ACD/KOC (pH 5.5): 7553.77
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2271.30
ACD/KOC (pH 7.4): 8785.36
Polar Surface Area: 123 Å2
Polarizability: 76.7±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 519.4±3.0 cm3

Click to predict properties on the Chemicalize site


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