ChemSpider 2D Image | [5-({1-[{2-[(4-Methoxybenzyl)(2-pyridinyl)amino]ethyl}(methyl)amino]-2-propanyl}amino)-1H-indol-2-yl](4-methyl-1-piperazinyl)methanone | C33H43N7O2

[5-({1-[{2-[(4-Methoxybenzyl)(2-pyridinyl)amino]ethyl}(methyl)amino]-2-propanyl}amino)-1H-indol-2-yl](4-methyl-1-piperazinyl)methanone

  • Molecular FormulaC33H43N7O2
  • Average mass569.740 Da
  • Monoisotopic mass569.347839 Da
  • ChemSpider ID28485704

More details:






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

[5-({1-[{2-[(4-Methoxybenzyl)(2-pyridinyl)amino]ethyl}(methyl)amino]-2-propanyl}amino)-1H-indol-2-yl](4-methyl-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
[5-({1-[{2-[(4-Methoxybenzyl)(2-pyridinyl)amino]ethyl}(methyl)amino]-2-propanyl}amino)-1H-indol-2-yl](4-methyl-1-piperazinyl)methanone [ACD/IUPAC Name]
[5-({1-[{2-[(4-Méthoxybenzyl)(2-pyridinyl)amino]éthyl}(méthyl)amino]-2-propanyl}amino)-1H-indol-2-yl](4-méthyl-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [5-[[2-[[2-[[(4-methoxyphenyl)methyl]-2-pyridinylamino]ethyl]methylamino]-1-methylethyl]amino]-1H-indol-2-yl](4-methyl-1-piperazinyl)- [ACD/Index Name]
10.1016/j.bmcl.2011.09.001

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 782.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 427.0±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 171.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.16
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 18.75
ACD/KOC (pH 7.4): 126.15
Polar Surface Area: 80 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 468.0±3.0 cm3

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