ChemSpider 2D Image | TCMDC-131928 | C27H24N4O6

TCMDC-131928

  • Molecular FormulaC27H24N4O6
  • Average mass500.503 Da
  • Monoisotopic mass500.169586 Da
  • ChemSpider ID54848

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(5-{[(1-hydroxy-3-methylbenzo[f]quinazolin-9-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid
(2S)-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]
(2S)-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]
(2S)-2-[5-[[(1,2-Dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)methyl]amino]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]pentanedioic acid
(S)-2-(5-(((3-methyl-1-oxo-1,2-dihydrobenzo[f]quinazolin-9-yl)methyl)amino)-1-oxoisoindolin-2-yl)pentanedioic acid
139987-54-5 [RN]
Acide (2S)-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-[1,3-dihydro-5-[[(1-hydroxy-3-methylbenzo[f]quinazolin-9-yl)methyl]amino]-1-oxo-2H-isoindol-2-yl]-, (2S)-
Pentanedioic acid, 2-[5-[[(1,4-dihydro-3-methyl-1-oxobenzo[f]quinazolin-9-yl)methyl]amino]-1,3-dihydro-1-oxo-2H-isoindol-2-yl]-, (2S)- [ACD/Index Name]
TCMDC-131928
More...

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

ON177ZCE7M [DBID]
OSI-7904 [DBID]
C11374 [DBID]
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.164413137 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: 852.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.8±3.0 kJ/mol
Flash Point: 469.3±37.1 °C
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): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.39
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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