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Search term: HAFMFNSFPWDDBC-VYYCAZPPSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-(4-Methyl-1H-imidazol-1-yl)-N-(3-{[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihydro-1H-indol-6-yl]amino}phenyl)-5-(trifluoromethyl)benzamide | C31H23F3N6O2

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

  • Molecular FormulaC31H23F3N6O2
  • Average mass568.549 Da
  • Monoisotopic mass568.183472 Da
  • ChemSpider ID9795845

  • Double-bond stereo - Double-bond stereo

More details:

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

3-(4-Methyl-1H-imidazol-1-yl)-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-1H-imidazol-1-yl)-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-1H-imidazol-1-yl)-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-1H-imidazol-1-yl)-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: 743.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 403.5±32.9 °C
Index of Refraction: 1.676
Molar Refractivity: 151.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1528.87
ACD/KOC (pH 5.5): 5351.36
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3189.90
ACD/KOC (pH 7.4): 11165.27
Polar Surface Area: 104 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 401.7±7.0 cm3

Click to predict properties on the Chemicalize site


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