ChemSpider 2D Image | (2S)-2-(5-{[(3-Methyl-1-oxo-1,4-dihydrobenzo[f]quinazolin-9-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioate | C27H22N4O6

(2S)-2-(5-{[(3-Methyl-1-oxo-1,4-dihydrobenzo[f]quinazolin-9-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioate

  • Molecular FormulaC27H22N4O6
  • Average mass498.488 Da
  • Monoisotopic mass498.155029 Da
  • ChemSpider ID128920556

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(5-{[(3-Methyl-1-oxo-1,4-dihydrobenzo[f]chinazolin-9-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentandioat [German] [ACD/IUPAC Name]
(2S)-2-(5-{[(3-Methyl-1-oxo-1,4-dihydrobenzo[f]quinazolin-9-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioate [ACD/IUPAC Name]
(2S)-2-(5-{[(3-Méthyl-1-oxo-1,4-dihydrobenzo[f]quinazolin-9-yl)méthyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioate [French] [ACD/IUPAC Name]
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]-, ion(2-), (2S)- [ACD/Index Name]
1843U89
Folate Analog 1843u89

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

Density:
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:
Molar Refractivity:
#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: 154 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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