ChemSpider 2D Image | 5-Ethyl 7-methyl (3S,5S,7R,7aS)-1-benzyl-5,7-dimethyl-3-phenylhexahydro-1H-pyrrolo[1,2-a]imidazole-5,7-dicarboxylate | C26H32N2O4

5-Ethyl 7-methyl (3S,5S,7R,7aS)-1-benzyl-5,7-dimethyl-3-phenylhexahydro-1H-pyrrolo[1,2-a]imidazole-5,7-dicarboxylate

  • Molecular FormulaC26H32N2O4
  • Average mass436.543 Da
  • Monoisotopic mass436.236206 Da
  • ChemSpider ID26993655

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,5S,7R,7aS)-1-Benzyl-5,7-diméthyl-3-phénylhexahydro-1H-pyrrolo[1,2-a]imidazole-5,7-dicarboxylate de 5-éthyle et de 7-méthyle [French] [ACD/IUPAC Name]
1H-Pyrrolo[1,2-a]imidazole-5,7-dicarboxylic acid, hexahydro-5,7-dimethyl-3-phenyl-1-(phenylmethyl)-, 5-ethyl 7-methyl ester, (3S,5S,7R,7aS)- [ACD/Index Name]
5-Ethyl 7-methyl (3S,5S,7R,7aS)-1-benzyl-5,7-dimethyl-3-phenylhexahydro-1H-pyrrolo[1,2-a]imidazole-5,7-dicarboxylate [ACD/IUPAC Name]
5-Ethyl-7-methyl-(3S,5S,7R,7aS)-1-benzyl-5,7-dimethyl-3-phenylhexahydro-1H-pyrrolo[1,2-a]imidazol-5,7-dicarboxylat [German] [ACD/IUPAC Name]
(3S,5S,7R,7aS)-1-Benzyl-5,7-dimethyl-5-ethoxycarbonyl-7-methoxycarbonyl-3-phenylhexahydropyrrolo[1,2-a]imidazole

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

Density: 1.2±0.1 g/cm3
Boiling Point: 516.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 266.1±30.1 °C
Index of Refraction: 1.600
Molar Refractivity: 123.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2702.67
ACD/KOC (pH 5.5): 9771.28
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2884.01
ACD/KOC (pH 7.4): 10426.90
Polar Surface Area: 59 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 361.3±5.0 cm3

Click to predict properties on the Chemicalize site


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