ChemSpider 2D Image | N'-{(E)-[3-Iodo-5-methoxy-4-(2-propyn-1-yloxy)phenyl]methylene}-4-(1-pyrrolidinyl)benzohydrazide | C22H22IN3O3

N'-{(E)-[3-Iodo-5-methoxy-4-(2-propyn-1-yloxy)phenyl]methylene}-4-(1-pyrrolidinyl)benzohydrazide

  • Molecular FormulaC22H22IN3O3
  • Average mass503.333 Da
  • Monoisotopic mass503.070587 Da
  • ChemSpider ID68273196

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzoic acid, 4-(1-pyrrolidinyl)-, 2-[(1E)-[3-iodo-5-methoxy-4-(2-propyn-1-yloxy)phenyl]methylene]hydrazide [ACD/Index Name]
N'-{(E)-[3-Iod-5-methoxy-4-(2-propin-1-yloxy)phenyl]methylen}-4-(1-pyrrolidinyl)benzohydrazid [German] [ACD/IUPAC Name]
N'-{(E)-[3-Iodo-5-methoxy-4-(2-propyn-1-yloxy)phenyl]methylene}-4-(1-pyrrolidinyl)benzohydrazide [ACD/IUPAC Name]
N'-{(E)-[3-Iodo-5-méthoxy-4-(2-propyn-1-yloxy)phényl]méthylène}-4-(1-pyrrolidinyl)benzohydrazide [French] [ACD/IUPAC Name]
N`-[(1E)-[3-IODO-5-METHOXY-4-(PROP-2-YN-1-YLOXY)PHENYL]METHYLIDENE]-4-(PYRROLIDIN-1-YL)BENZOHYDRAZIDE

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: 1.622
Molar Refractivity: 122.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 314.51
ACD/KOC (pH 5.5): 2133.09
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 315.52
ACD/KOC (pH 7.4): 2139.93
Polar Surface Area: 63 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 347.4±7.0 cm3

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