ChemSpider 2D Image | RK-20448 | C29H34N6O

RK-20448

  • Molecular FormulaC29H34N6O
  • Average mass482.620 Da
  • Monoisotopic mass482.279419 Da
  • ChemSpider ID23140686

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

479501-40-1 [RN]
7-[cis-4-(4-Methyl-1-piperazinyl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
7-[cis-4-(4-Methyl-1-piperazinyl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ACD/IUPAC Name]
7-[cis-4-(4-Méthyl-1-pipérazinyl)cyclohexyl]-5-(4-phénoxyphényl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
7-[cis-4-(4-Methylpiperazin-1-Yl)cyclohexyl]-5-(4-Phenoxyphenyl)-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-[cis-4-(4-methyl-1-piperazinyl)cyclohexyl]-5-(4-phenoxyphenyl)- [ACD/Index Name]
RK-20448
(R)-7-[4-(4-Methyl-piperazin-1-yl)-cyclohexyl]-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CHEMBL47203
GS-9009
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 686.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.9±31.5 °C
Index of Refraction: 1.689
Molar Refractivity: 142.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.75
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 68.82
ACD/KOC (pH 7.4): 346.99
Polar Surface Area: 72 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 372.0±7.0 cm3

Click to predict properties on the Chemicalize site


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