ChemSpider 2D Image | N'-[2-(2-Chlorophenyl)-6-{4-[3-(4-methoxyphenyl)propyl]-1-piperazinyl}-4-pyrimidinyl]-N,N-dimethyl-1,3-benzenediamine | C32H37ClN6O

N'-[2-(2-Chlorophenyl)-6-{4-[3-(4-methoxyphenyl)propyl]-1-piperazinyl}-4-pyrimidinyl]-N,N-dimethyl-1,3-benzenediamine

  • Molecular FormulaC32H37ClN6O
  • Average mass557.129 Da
  • Monoisotopic mass556.271729 Da
  • ChemSpider ID121507747

More details:

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

1,3-Benzenediamine, N3-[2-(2-chlorophenyl)-6-[4-[3-(4-methoxyphenyl)propyl]-1-piperazinyl]-4-pyrimidinyl]-N1,N1-dimethyl- [ACD/Index Name]
N'-[2-(2-Chlorophenyl)-6-{4-[3-(4-methoxyphenyl)propyl]-1-piperazinyl}-4-pyrimidinyl]-N,N-dimethyl-1,3-benzenediamine [ACD/IUPAC Name]
N'-[2-(2-Chlorophényl)-6-{4-[3-(4-méthoxyphényl)propyl]-1-pipérazinyl}-4-pyrimidinyl]-N,N-diméthyl-1,3-benzènediamine [French] [ACD/IUPAC Name]
N'-[2-(2-Chlorphenyl)-6-{4-[3-(4-methoxyphenyl)propyl]-1-piperazinyl}-4-pyrimidinyl]-N,N-dimethyl-1,3-benzoldiamin [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: 671.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.9±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 164.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 52.39
ACD/KOC (pH 5.5): 113.82
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 7167.20
ACD/KOC (pH 7.4): 15569.75
Polar Surface Area: 57 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 459.3±3.0 cm3

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