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Search term: JECVRFZSSMBKTJ-VEILYXNESA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-(4-Methyl-1-piperazinyl)-N-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-5-(trifluoromethyl)benzamide | C32H29F3N6O2

3-(4-Methyl-1-piperazinyl)-N-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-5-(trifluoromethyl)benzamide

  • Molecular FormulaC32H29F3N6O2
  • Average mass586.607 Da
  • Monoisotopic mass586.230408 Da
  • ChemSpider ID28521148

  • Double-bond stereo - Double-bond stereo

More details:

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

3-(4-Methyl-1-piperazinyl)-N-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylen)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-5-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
3-(4-Methyl-1-piperazinyl)-N-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-5-(trifluoromethyl)benzamide [ACD/IUPAC Name]
3-(4-Méthyl-1-pipérazinyl)-N-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylméthylène)-2,3-dihydro-1H-indol-6-yl]amino}phényl)-5-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[3-[[(3Z)-2,3-dihydro-2-oxo-3-(1H-pyrrol-2-ylmethylene)-1H-indol-6-yl]amino]phenyl]-3-(4-methyl-1-piperazinyl)-5-(trifluoromethyl)- [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: 735.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.5±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 159.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 23.42
ACD/KOC (pH 5.5): 84.88
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1064.13
ACD/KOC (pH 7.4): 3856.79
Polar Surface Area: 93 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 418.9±3.0 cm3

Click to predict properties on the Chemicalize site


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