ChemSpider 2D Image | 2-{2-(4-Ethoxyphenyl)-6-[4-(3-methylbenzyl)-1-piperazinyl]-4-pyrimidinyl}-6-methoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole | C36H40N6O2

2-{2-(4-Ethoxyphenyl)-6-[4-(3-methylbenzyl)-1-piperazinyl]-4-pyrimidinyl}-6-methoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

  • Molecular FormulaC36H40N6O2
  • Average mass588.742 Da
  • Monoisotopic mass588.321289 Da
  • ChemSpider ID122013064

More details:

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

1H-Pyrido[4,3-b]indole, 2-[2-(4-ethoxyphenyl)-6-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-4-pyrimidinyl]-2,3,4,5-tetrahydro-6-methoxy- [ACD/Index Name]
2-{2-(4-Ethoxyphenyl)-6-[4-(3-methylbenzyl)-1-piperazinyl]-4-pyrimidinyl}-6-methoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol [German] [ACD/IUPAC Name]
2-{2-(4-Ethoxyphenyl)-6-[4-(3-methylbenzyl)-1-piperazinyl]-4-pyrimidinyl}-6-methoxy-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole [ACD/IUPAC Name]
2-{2-(4-Éthoxyphényl)-6-[4-(3-méthylbenzyl)-1-pipérazinyl]-4-pyrimidinyl}-6-méthoxy-2,3,4,5-tétrahydro-1H-pyrido[4,3-b]indole [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 729.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.8±32.9 °C
Index of Refraction: 1.654
Molar Refractivity: 175.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 54.88
ACD/KOC (pH 5.5): 101.03
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 288.50
ACD/KOC (pH 7.4): 531.14
Polar Surface Area: 70 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 478.1±3.0 cm3

Click to predict properties on the Chemicalize site


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