ChemSpider 2D Image | N-{2-[(1-{2-[(2-Hydroxyethyl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)amino]-2-oxoethyl}-3-nitrobenzamide | C16H18N6O6

N-{2-[(1-{2-[(2-Hydroxyethyl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)amino]-2-oxoethyl}-3-nitrobenzamide

  • Molecular FormulaC16H18N6O6
  • Average mass390.351 Da
  • Monoisotopic mass390.128784 Da
  • ChemSpider ID71303849

More details:

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

1H-Pyrazole-1-acetamide, N-(2-hydroxyethyl)-4-[[2-[(3-nitrobenzoyl)amino]acetyl]amino]- [ACD/Index Name]
N-{2-[(1-{2-[(2-Hydroxyethyl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)amino]-2-oxoethyl}-3-nitrobenzamid [German] [ACD/IUPAC Name]
N-{2-[(1-{2-[(2-Hydroxyethyl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)amino]-2-oxoethyl}-3-nitrobenzamide [ACD/IUPAC Name]
N-{2-[(1-{2-[(2-Hydroxyéthyl)amino]-2-oxoéthyl}-1H-pyrazol-4-yl)amino]-2-oxoéthyl}-3-nitrobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 835.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 459.2±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 96.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.54
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.13
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.13
Polar Surface Area: 171 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 70.0±7.0 dyne/cm
Molar Volume: 257.2±7.0 cm3

Click to predict properties on the Chemicalize site


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