ChemSpider 2D Image | 17-(4-{2-[3,5-Dimethyl-4-(4-nitrobenzyl)-1H-pyrazol-1-yl]-2-oxoethoxy}phenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione | C38H30N4O6

17-(4-{2-[3,5-Dimethyl-4-(4-nitrobenzyl)-1H-pyrazol-1-yl]-2-oxoethoxy}phenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

  • Molecular FormulaC38H30N4O6
  • Average mass638.668 Da
  • Monoisotopic mass638.216553 Da
  • ChemSpider ID108347796

More details:

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

17-(4-{2-[3,5-Dimethyl-4-(4-nitrobenzyl)-1H-pyrazol-1-yl]-2-oxoethoxy}phenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-16,18-dion [German] [ACD/IUPAC Name]
17-(4-{2-[3,5-Dimethyl-4-(4-nitrobenzyl)-1H-pyrazol-1-yl]-2-oxoethoxy}phenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione [ACD/IUPAC Name]
17-(4-{2-[3,5-Diméthyl-4-(4-nitrobenzyl)-1H-pyrazol-1-yl]-2-oxoéthoxy}phényl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadéca-2,4,6,9,11,13-hexaène-16,18-dione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 909.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.3±3.0 kJ/mol
Flash Point: 503.8±37.1 °C
Index of Refraction: 1.734
Molar Refractivity: 177.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 38606.75
ACD/KOC (pH 5.5): 66790.79
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 38606.84
ACD/KOC (pH 7.4): 66790.94
Polar Surface Area: 127 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 443.0±7.0 cm3

Click to predict properties on the Chemicalize site


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