ChemSpider 2D Image | Methyl 2-{4-[(Z)-{[2-{[(benzyloxy)carbonyl]amino}-3-(1H-imidazol-4-yl)propanoyl]hydrazono}methyl]-2-chlorophenoxy}isonicotinate (non-preferred name) | C28H25ClN6O6

Methyl 2-{4-[(Z)-{[2-{[(benzyloxy)carbonyl]amino}-3-(1H-imidazol-4-yl)propanoyl]hydrazono}methyl]-2-chlorophenoxy}isonicotinate (non-preferred name)

  • Molecular FormulaC28H25ClN6O6
  • Average mass576.988 Da
  • Monoisotopic mass576.152405 Da
  • ChemSpider ID100775701

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{4-[(Z)-{[2-{[(Benzyloxy)carbonyl]amino}-3-(1H-imidazol-4-yl)propanoyl]hydrazono}méthyl]-2-chlorophénoxy}isonicotinate de méthyle (non-preferred name) [French] [ACD/IUPAC Name]
Methyl 2-{4-[(Z)-{[2-{[(benzyloxy)carbonyl]amino}-3-(1H-imidazol-4-yl)propanoyl]hydrazono}methyl]-2-chlorophenoxy}isonicotinate (non-preferred name) [ACD/IUPAC Name]
Methyl-2-{4-[(Z)-{[2-{[(benzyloxy)carbonyl]amino}-3-(1H-imidazol-4-yl)propanoyl]hydrazono}methyl]-2-chlorphenoxy}isonicotinat (non-preferred name) [German] [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: 1.644
Molar Refractivity: 150.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 15.73
ACD/KOC (pH 5.5): 98.41
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 309.50
ACD/KOC (pH 7.4): 1935.96
Polar Surface Area: 157 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 416.4±7.0 cm3

Click to predict properties on the Chemicalize site


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