ChemSpider 2D Image | 4-(1-Benzofuran-2-ylmethyl)-1-{4-benzyl-2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-oxopentyl}-N-(2-methyl-2-propanyl)-2-piperazinecarboxamide | C39H48N4O5

4-(1-Benzofuran-2-ylmethyl)-1-{4-benzyl-2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-oxopentyl}-N-(2-methyl-2-propanyl)-2-piperazinecarboxamide

  • Molecular FormulaC39H48N4O5
  • Average mass652.822 Da
  • Monoisotopic mass652.362488 Da
  • ChemSpider ID4167

More details:






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

4-(1-Benzofuran-2-ylmethyl)-1-{4-benzyl-2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-oxopentyl}-N-(2-methyl-2-propanyl)-2-piperazincarboxamid [German] [ACD/IUPAC Name]
4-(1-Benzofuran-2-ylmethyl)-1-{4-benzyl-2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-oxopentyl}-N-(2-methyl-2-propanyl)-2-piperazinecarboxamide [ACD/IUPAC Name]
4-(1-Benzofuran-2-ylméthyl)-1-{4-benzyl-2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-indén-1-yl)amino]-5-oxopentyl}-N-(2-méthyl-2-propanyl)-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
4-(1-benzofuran-2-ylmethyl)-1-{4-benzyl-2-hydroxy-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-5-oxopentyl}-N-tert-butylpiperazine-2-carboxamide (non-preferred name)
4-Benzofuran-2-ylmethyl-1-[2-hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-piperazine-2-carboxylic acid tert-butylamide (L-756423)

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

L-756423 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 895.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.4±3.0 kJ/mol
Flash Point: 495.5±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 188.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 794.02
ACD/KOC (pH 5.5): 3437.88
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1512.93
ACD/KOC (pH 7.4): 6550.56
Polar Surface Area: 118 Å2
Polarizability: 74.7±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 513.1±5.0 cm3

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