Found 4 results

Search term: MF = 'C_{40}H_{44}N_{6}O_{13}'
ChemSpider 2D Image | 3,4,5-Trimethoxy-N-{2-oxo-2-[(2-oxo-2-{[3-(4-{[({[(3,4,5-trimethoxybenzoyl)amino]acetyl}amino)acetyl]amino}phenoxy)phenyl]amino}ethyl)amino]ethyl}benzamide | C40H44N6O13

3,4,5-Trimethoxy-N-{2-oxo-2-[(2-oxo-2-{[3-(4-{[({[(3,4,5-trimethoxybenzoyl)amino]acetyl}amino)acetyl]amino}phenoxy)phenyl]amino}ethyl)amino]ethyl}benzamide

  • Molecular FormulaC40H44N6O13
  • Average mass816.810 Da
  • Monoisotopic mass816.296631 Da
  • ChemSpider ID24687078

More details:

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

3,4,5-Trimethoxy-N-{2-oxo-2-[(2-oxo-2-{[3-(4-{[({[(3,4,5-trimethoxybenzoyl)amino]acetyl}amino)acetyl]amino}phenoxy)phenyl]amino}ethyl)amino]ethyl}benzamid [German] [ACD/IUPAC Name]
3,4,5-Trimethoxy-N-{2-oxo-2-[(2-oxo-2-{[3-(4-{[({[(3,4,5-trimethoxybenzoyl)amino]acetyl}amino)acetyl]amino}phenoxy)phenyl]amino}ethyl)amino]ethyl}benzamide [ACD/IUPAC Name]
3,4,5-Triméthoxy-N-{2-oxo-2-[(2-oxo-2-{[3-(4-{[2-({2-[(3,4,5-triméthoxybenzoyl)amino]acétyl}amino)acétyl]amino}phénoxy)phényl]amino}éthyl)amino]éthyl}benzamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL448871/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1035.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.7±3.0 kJ/mol
Flash Point: 580.1±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 213.5±0.3 cm3
#H bond acceptors: 19
#H bond donors: 6
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.36
ACD/KOC (pH 5.5): 64.23
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.36
ACD/KOC (pH 7.4): 64.23
Polar Surface Area: 239 Å2
Polarizability: 84.6±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 617.6±3.0 cm3

Click to predict properties on the Chemicalize site


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