ChemSpider 2D Image | TCMDC-125681 | C23H27F3N4O3

TCMDC-125681

  • Molecular FormulaC23H27F3N4O3
  • Average mass464.481 Da
  • Monoisotopic mass464.203522 Da
  • ChemSpider ID22475441

More details:

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

4-{[3-(1-Azepanyl)propyl]amino}-3-nitro-N-[4-(trifluormethyl)phenyl]benzamid [German] [ACD/IUPAC Name]
4-{[3-(1-Azepanyl)propyl]amino}-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide [ACD/IUPAC Name]
4-{[3-(1-Azépanyl)propyl]amino}-3-nitro-N-[4-(trifluorométhyl)phényl]benzamide [French] [ACD/IUPAC Name]
4-{[3-(Azepan-1-yl)propyl]amino}-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
Benzamide, 4-[[3-(hexahydro-1H-azepin-1-yl)propyl]amino]-3-nitro-N-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
TCMDC-125681
4-[(3-azepan-1-ylpropyl)amino]-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
GNF-PF-3332
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.31545035 GlaxoSmithKline Malaria Set

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

Density: 1.3±0.1 g/cm3
Boiling Point: 537.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.1±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 120.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 6.47
ACD/KOC (pH 5.5): 17.84
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 48.24
ACD/KOC (pH 7.4): 133.14
Polar Surface Area: 90 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 357.4±3.0 cm3

Click to predict properties on the Chemicalize site


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