ChemSpider 2D Image | N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE | C46H51N3O10

N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE

  • Molecular FormulaC46H51N3O10
  • Average mass805.911 Da
  • Monoisotopic mass805.357422 Da
  • ChemSpider ID3672660

More details:

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

2H-Isoindole-2-propanamide, N-[3-[[3,5-dimethoxy-4-(phenylmethoxy)benzoyl]amino]-2-hydroxy-4-phenylbutyl]-N-[2-(hexahydro-1,3-benzodioxol-5-yl)ethyl]-1,3-dihydro-1,3-dioxo- [ACD/Index Name]
4-(Benzyloxy)-N-(4-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl][2-(hexahydro-1,3-benzodioxol-5-yl)ethyl]amino}-3-hydroxy-1-phenyl-2-butanyl)-3,5-dimethoxybenzamid [German] [ACD/IUPAC Name]
4-(Benzyloxy)-N-(4-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl][2-(hexahydro-1,3-benzodioxol-5-yl)ethyl]amino}-3-hydroxy-1-phenyl-2-butanyl)-3,5-dimethoxybenzamide [ACD/IUPAC Name]
4-(Benzyloxy)-N-(4-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl][2-(hexahydro-1,3-benzodioxol-5-yl)éthyl]amino}-3-hydroxy-1-phényl-2-butanyl)-3,5-diméthoxybenzamide [French] [ACD/IUPAC Name]
N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 935.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.6±3.0 kJ/mol
Flash Point: 519.5±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 218.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8941.22
ACD/KOC (pH 5.5): 23442.28
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8941.19
ACD/KOC (pH 7.4): 23442.21
Polar Surface Area: 153 Å2
Polarizability: 86.6±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 635.3±3.0 cm3

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