ChemSpider 2D Image | N-{3-Methyl-1-[(2E)-2-{[(3Z)-2-(4-morpholinyl)-3-(4-nitrobenzylidene)-1-cyclopenten-1-yl]methylene}hydrazino]-1-oxo-2-butanyl}-1-adamantanecarboxamide | C33H43N5O5

N-{3-Methyl-1-[(2E)-2-{[(3Z)-2-(4-morpholinyl)-3-(4-nitrobenzylidene)-1-cyclopenten-1-yl]methylene}hydrazino]-1-oxo-2-butanyl}-1-adamantanecarboxamide

  • Molecular FormulaC33H43N5O5
  • Average mass589.725 Da
  • Monoisotopic mass589.326416 Da
  • ChemSpider ID17093222

  • Double-bond stereo - Double-bond stereo

More details:

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

N-{3-Methyl-1-[(2E)-2-{[(3Z)-2-(4-morpholinyl)-3-(4-nitrobenzyliden)-1-cyclopenten-1-yl]methylen}hydrazino]-1-oxo-2-butanyl}-1-adamantancarboxamid [German] [ACD/IUPAC Name]
N-{3-Methyl-1-[(2E)-2-{[(3Z)-2-(4-morpholinyl)-3-(4-nitrobenzylidene)-1-cyclopenten-1-yl]methylene}hydrazino]-1-oxo-2-butanyl}-1-adamantanecarboxamide [ACD/IUPAC Name]
N-{3-Méthyl-1-[(2E)-2-{[(3Z)-2-(4-morpholinyl)-3-(4-nitrobenzylidène)-1-cyclopentén-1-yl]méthylène}hydrazino]-1-oxo-2-butanyl}-1-adamantanecarboxamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.681
Molar Refractivity: 161.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6387.99
ACD/KOC (pH 5.5): 18390.38
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6433.16
ACD/KOC (pH 7.4): 18520.39
Polar Surface Area: 129 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 426.7±7.0 cm3

Click to predict properties on the Chemicalize site


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