ChemSpider 2D Image | Methyl (2'R,3S,4'R,5'R)-2'-(4-bromophenyl)-2-oxo-4'-phenyl-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate | C25H21BrN2O3

Methyl (2'R,3S,4'R,5'R)-2'-(4-bromophenyl)-2-oxo-4'-phenyl-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate

  • Molecular FormulaC25H21BrN2O3
  • Average mass477.350 Da
  • Monoisotopic mass476.073547 Da
  • ChemSpider ID24605787

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2'R,3S,4'R,5'R)-2'-(4-Bromophényl)-2-oxo-4'-phényl-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (2'R,3S,4'R,5'R)-2'-(4-bromophenyl)-2-oxo-4'-phenyl-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate [ACD/IUPAC Name]
Methyl-(2'R,3S,4'R,5'R)-2'-(4-bromphenyl)-2-oxo-4'-phenyl-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylat [German] [ACD/IUPAC Name]
Spiro[3H-indole-3,3'-pyrrolidine]-5'-carboxylic acid, 2'-(4-bromophenyl)-1,2-dihydro-2-oxo-4'-phenyl-, methyl ester, (2'R,3S,4'R,5'R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 611.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.5±31.5 °C
Index of Refraction: 1.695
Molar Refractivity: 121.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 465.55
ACD/KOC (pH 5.5): 1989.14
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1555.74
ACD/KOC (pH 7.4): 6647.17
Polar Surface Area: 67 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 315.8±5.0 cm3

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