ChemSpider 2D Image | 1-Cyclohexyl-2-{2-(2-methyl-2-propanyl)-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinyl}-2,3,4,9-tetrahydro-1H-beta-carboline | C39H52N6O3

1-Cyclohexyl-2-{2-(2-methyl-2-propanyl)-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinyl}-2,3,4,9-tetrahydro-1H-β-carboline

  • Molecular FormulaC39H52N6O3
  • Average mass652.869 Da
  • Monoisotopic mass652.410095 Da
  • ChemSpider ID121855618

More details:

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

1-Cyclohexyl-2-{2-(2-methyl-2-propanyl)-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinyl}-2,3,4,9-tetrahydro-1H-β-carbolin [German] [ACD/IUPAC Name]
1-Cyclohexyl-2-{2-(2-methyl-2-propanyl)-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-4-pyrimidinyl}-2,3,4,9-tetrahydro-1H-β-carboline [ACD/IUPAC Name]
1-Cyclohexyl-2-{2-(2-méthyl-2-propanyl)-6-[4-(2,3,4-triméthoxybenzyl)-1-pipérazinyl]-4-pyrimidinyl}-2,3,4,9-tétrahydro-1H-β-carboline [French] [ACD/IUPAC Name]
1H-Pyrido[3,4-b]indole, 1-cyclohexyl-2-[2-(1,1-dimethylethyl)-6-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]-4-pyrimidinyl]-2,3,4,9-tetrahydro- [ACD/Index 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: 785.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 429.0±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 192.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 92.41
ACD/KOC (pH 5.5): 164.34
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 171.81
ACD/KOC (pH 7.4): 305.55
Polar Surface Area: 79 Å2
Polarizability: 76.1±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 550.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement