ChemSpider 2D Image | (3Z)-3-[{[4-(Methyl{[4-(~2~H_3_)methyl-1-piperazinyl]acetyl}amino)phenyl]amino}(phenyl)methylene]-2-oxo-6-indolinecarboxylic acid | C30H28D3N5O4

(3Z)-3-[{[4-(Methyl{[4-(2H3)methyl-1-piperazinyl]acetyl}amino)phenyl]amino}(phenyl)methylene]-2-oxo-6-indolinecarboxylic acid

  • Molecular FormulaC30H28D3N5O4
  • Average mass528.617 Da
  • Monoisotopic mass528.256409 Da
  • ChemSpider ID107436545

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(3Z)-3-[{[4-(Methyl{[4-(2H3)methyl-1-piperazinyl]acetyl}amino)phenyl]amino}(phenyl)methylen]-2-oxo-6-indolincarbonsäure [German] [ACD/IUPAC Name]
(3Z)-3-[{[4-(Methyl{[4-(2H3)methyl-1-piperazinyl]acetyl}amino)phenyl]amino}(phenyl)methylene]-2-oxo-6-indolinecarboxylic acid [ACD/IUPAC Name]
1H-Indole-6-carboxylic acid, 2,3-dihydro-3-[[[4-[methyl[2-[4-(methyl-d3)-1-piperazinyl]acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-, (3Z)- [ACD/Index Name]
Acide (3Z)-3-[{[4-(méthyl{2-[4-(2H3)méthyl-1-pipérazinyl]acétyl}amino)phényl]amino}(phényl)méthylène]-2-oxo-6-indolinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 759.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 413.1±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 150.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.45
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.58
Polar Surface Area: 105 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 394.8±3.0 cm3

Click to predict properties on the Chemicalize site


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