ChemSpider 2D Image | AZD6088 | C21H36N4O3

AZD6088

  • Molecular FormulaC21H36N4O3
  • Average mass392.535 Da
  • Monoisotopic mass392.278748 Da
  • ChemSpider ID34980771

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[1,4'-Bipiperidine]-1'-carboxylic acid, 4-[(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-2-hydroxy-1H-benzimidazol-1-yl]-4'-methyl-, ethyl ester [ACD/Index Name]
4-[(3aS,7aS)-2-Hydroxy-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-yl]-4'-méthyl-1,4'-bipipéridine-1'-carboxylate d'éthyle [French] [ACD/IUPAC Name]
AZD6088
Ethyl 4-[(3aS,7aS)-2-hydroxy-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-yl]-4'-methyl-1,4'-bipiperidine-1'-carboxylate [ACD/IUPAC Name]
Ethyl-4-[(3aS,7aS)-2-hydroxy-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-yl]-4'-methyl-1,4'-bipiperidin-1'-carboxylat [German] [ACD/IUPAC Name]
AZ 12677524
AZ 12677524|AZ-12677524|AZ12677524|AZD 6088|AZD-6088
AZ12677524
AZ-12677524
AZD 6088
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 525.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 271.7±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 107.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 69 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 298.2±7.0 cm3

Click to predict properties on the Chemicalize site


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