ChemSpider 2D Image | TCMDC-138033 | C27H24N4O6

TCMDC-138033

  • Molecular FormulaC27H24N4O6
  • Average mass500.503 Da
  • Monoisotopic mass500.169586 Da
  • ChemSpider ID24577904

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(5-{[(3-Methyl-1-oxo-1,2-dihydrobenzo[f]chinazolin-9-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentandisäure [German] [ACD/IUPAC Name]
(2R)-2-(5-{[(3-Methyl-1-oxo-1,2-dihydrobenzo[f]quinazolin-9-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid [ACD/IUPAC Name]
Acide (2R)-2-(5-{[(3-méthyl-1-oxo-1,2-dihydrobenzo[f]quinazolin-9-yl)méthyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 2-[5-[[(1,2-dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)methyl]amino]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]-, (2R)- [ACD/Index Name]
TCMDC-138033
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.860183617 GlaxoSmithKline Malaria Set

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.729
Molar Refractivity: 132.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.14
ACD/LogD (pH 5.5): -1.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 65.2±7.0 dyne/cm
Molar Volume: 331.8±7.0 cm3

Click to predict properties on the Chemicalize site


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