ChemSpider 2D Image | [4-(2-Methyl-2-propanyl)phenyl]{4-[4-nitro-3-(4-phenyl-1-piperazinyl)phenyl]-1-piperazinyl}methanone | C31H37N5O3

[4-(2-Methyl-2-propanyl)phenyl]{4-[4-nitro-3-(4-phenyl-1-piperazinyl)phenyl]-1-piperazinyl}methanone

  • Molecular FormulaC31H37N5O3
  • Average mass527.657 Da
  • Monoisotopic mass527.289612 Da
  • ChemSpider ID3152209

More details:

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

[4-(2-Methyl-2-propanyl)phenyl]{4-[4-nitro-3-(4-phenyl-1-piperazinyl)phenyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
[4-(2-Methyl-2-propanyl)phenyl]{4-[4-nitro-3-(4-phenyl-1-piperazinyl)phenyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
[4-(2-Méthyl-2-propanyl)phényl]{4-[4-nitro-3-(4-phényl-1-pipérazinyl)phényl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(1,1-dimethylethyl)phenyl][4-[4-nitro-3-(4-phenyl-1-piperazinyl)phenyl]-1-piperazinyl]- [ACD/Index Name]
(4-tert-butylphenyl){4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl}methanone
(4-tert-Butyl-phenyl)-{4-[4-nitro-3-(4-phenyl-piperazin-1-yl)-phenyl]-piperazin-1-yl}-methanone
1-{5-[4-(4-TERT-BUTYLBENZOYL)PIPERAZIN-1-YL]-2-NITROPHENYL}-4-PHENYLPIPERAZINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 730.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 395.8±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 152.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 3715.91
ACD/KOC (pH 5.5): 9902.32
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8309.91
ACD/KOC (pH 7.4): 22144.62
Polar Surface Area: 76 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 435.8±3.0 cm3

Click to predict properties on the Chemicalize site


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