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

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

  • Molecular FormulaC33H43N5O5
  • Average mass589.725 Da
  • Monoisotopic mass589.326416 Da
  • ChemSpider ID64186181

  • 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-{[(3E)-2-(4-morpholinyl)-3-(3-nitrobenzyliden)-1-cyclopenten-1-yl]methylen}hydrazino]-1-oxo-2-butanyl}-1-adamantancarboxamid (non-preferred name) [German] [ACD/IUPAC Name]
N-{3-Methyl-1-[(2E)-2-{[(3E)-2-(4-morpholinyl)-3-(3-nitrobenzylidene)-1-cyclopenten-1-yl]methylene}hydrazino]-1-oxo-2-butanyl}-1-adamantanecarboxamide (non-preferred name) [ACD/IUPAC Name]
N-{3-Méthyl-1-[(2E)-2-{[(3E)-2-(4-morpholinyl)-3-(3-nitrobenzylidène)-1-cyclopentén-1-yl]méthylène}hydrazino]-1-oxo-2-butanyl}-1-adamantanecarboxamide (non-preferred name) [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: 6.15
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7299.66
ACD/KOC (pH 5.5): 20210.67
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7379.65
ACD/KOC (pH 7.4): 20432.11
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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