ChemSpider 2D Image | N-(4-Butoxyphenyl)-6-{4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl}-2-(2-methyl-2-propanyl)-4-pyrimidinamine | C30H36ClN7O2

N-(4-Butoxyphenyl)-6-{4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl}-2-(2-methyl-2-propanyl)-4-pyrimidinamine

  • Molecular FormulaC30H36ClN7O2
  • Average mass562.106 Da
  • Monoisotopic mass561.261902 Da
  • ChemSpider ID121430312

More details:

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

4-Pyrimidinamine, N-(4-butoxyphenyl)-6-[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl]-2-(1,1-dimethylethyl)- [ACD/Index Name]
N-(4-Butoxyphenyl)-6-{4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl}-2-(2-methyl-2-propanyl)-4-pyrimidinamine [ACD/IUPAC Name]
N-(4-Butoxyphényl)-6-{4-[5-(4-chlorophényl)-1,3,4-oxadiazol-2-yl]-1-pipérazinyl}-2-(2-méthyl-2-propanyl)-4-pyrimidinamine [French] [ACD/IUPAC Name]
N-(4-Butoxyphenyl)-6-{4-[5-(4-chlorphenyl)-1,3,4-oxadiazol-2-yl]-1-piperazinyl}-2-(2-methyl-2-propanyl)-4-pyrimidinamin [German] [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: 707.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.4±35.7 °C
Index of Refraction: 1.604
Molar Refractivity: 157.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 219.27
ACD/KOC (pH 5.5): 444.01
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 7817.47
ACD/KOC (pH 7.4): 15830.04
Polar Surface Area: 92 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 456.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement