ChemSpider 2D Image | TCMDC-141470 | C34H34ClN3O3

TCMDC-141470

  • Molecular FormulaC34H34ClN3O3
  • Average mass568.105 Da
  • Monoisotopic mass567.228882 Da
  • ChemSpider ID24581133

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(2-Chlorophenyl)-1-(5-{3-[7-(5-methyl-1,2-oxazol-3-yl)-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]propoxy}-2,3-dihydro-1H-indol-1-yl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-(2-Chlorophényl)-1-(5-{3-[7-(5-méthyl-1,2-oxazol-3-yl)-1,2,4,5-tétrahydro-3H-3-benzazépin-3-yl]propoxy}-2,3-dihydro-1H-indol-1-yl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-3-(2-Chlorophenyl)-1-(5-{3-[7-(5-methyl-1,2-oxazol-3-yl)-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]propoxy}-2,3-dihydro-1H-indol-1-yl)prop-2-en-1-one
(2E)-3-(2-Chlorphenyl)-1-(5-{3-[7-(5-methyl-1,2-oxazol-3-yl)-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]propoxy}-2,3-dihydro-1H-indol-1-yl)-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 3-(2-chlorophenyl)-1-[2,3-dihydro-5-[3-[1,2,4,5-tetrahydro-7-(5-methyl-3-isoxazolyl)-3H-3-benzazepin-3-yl]propoxy]-1H-indol-1-yl]-, (2E)- [ACD/Index Name]
TCMDC-141470
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 1.227824411 GlaxoSmithKline Malaria Set

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

Density: 1.2±0.1 g/cm3
Boiling Point: 754.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 410.3±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 162.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 42.03
ACD/KOC (pH 5.5): 79.26
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 1485.14
ACD/KOC (pH 7.4): 2800.90
Polar Surface Area: 59 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 457.3±3.0 cm3

Click to predict properties on the Chemicalize site


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