ChemSpider 2D Image | Methyl N-[(5Z)-6-{[4-(4-iodobenzyl)benzoyl]amino}-5-hexenoyl]glycinate | C23H25IN2O4

Methyl N-[(5Z)-6-{[4-(4-iodobenzyl)benzoyl]amino}-5-hexenoyl]glycinate

  • Molecular FormulaC23H25IN2O4
  • Average mass520.360 Da
  • Monoisotopic mass520.085876 Da
  • ChemSpider ID24717470

  • Double-bond stereo - Double-bond stereo

More details:

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

Glycine, N-[(5Z)-6-[[4-[(4-iodophenyl)methyl]benzoyl]amino]-1-oxo-5-hexen-1-yl]-, methyl ester [ACD/Index Name]
Methyl N-[(5z)-6-({[4-(4-Iodobenzyl)phenyl]carbonyl}amino)hex-5-Enoyl]glycinate
Methyl N-[(5Z)-6-{[4-(4-iodobenzyl)benzoyl]amino}-5-hexenoyl]glycinate [ACD/IUPAC Name]
Methyl-N-[(5Z)-6-{[4-(4-iodbenzyl)benzoyl]amino}-5-hexenoyl]glycinat [German] [ACD/IUPAC Name]
N-[(5Z)-6-{[4-(4-Iodobenzyl)benzoyl]amino}-5-hexenoyl]glycinate de méthyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL520875/
ICX

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

Density: 1.4±0.1 g/cm3
Boiling Point: 685.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.2±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 124.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 172.30
ACD/KOC (pH 5.5): 1387.88
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 172.30
ACD/KOC (pH 7.4): 1387.87
Polar Surface Area: 85 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 366.3±3.0 cm3

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