ChemSpider 2D Image | 2-Methyl-2-propanyl 4-(4-{1-[4-(5-nitro-2-pyridinyl)-1-piperazinyl]-2,6-naphthyridin-3-yl}-2-pyridinyl)-1-piperazinecarboxylate | C31H35N9O4

2-Methyl-2-propanyl 4-(4-{1-[4-(5-nitro-2-pyridinyl)-1-piperazinyl]-2,6-naphthyridin-3-yl}-2-pyridinyl)-1-piperazinecarboxylate

  • Molecular FormulaC31H35N9O4
  • Average mass597.667 Da
  • Monoisotopic mass597.281189 Da
  • ChemSpider ID76037859

More details:

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

1-Piperazinecarboxylic acid, 4-[4-[1-[4-(5-nitro-2-pyridinyl)-1-piperazinyl]-2,6-naphthyridin-3-yl]-2-pyridinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(4-{1-[4-(5-nitro-2-pyridinyl)-1-piperazinyl]-2,6-naphthyridin-3-yl}-2-pyridinyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(4-{1-[4-(5-nitro-2-pyridinyl)-1-piperazinyl]-2,6-naphthyridin-3-yl}-2-pyridinyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(4-{1-[4-(5-Nitro-2-pyridinyl)-1-pipérazinyl]-2,6-naphtyridin-3-yl}-2-pyridinyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 840.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 462.2±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 164.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 47.04
ACD/KOC (pH 5.5): 328.55
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 268.52
ACD/KOC (pH 7.4): 1875.40
Polar Surface Area: 137 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 451.6±3.0 cm3

Click to predict properties on the Chemicalize site


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