ChemSpider 2D Image | 6-Bromo-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate | C21H19BrN2O3S

6-Bromo-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate

  • Molecular FormulaC21H19BrN2O3S
  • Average mass459.356 Da
  • Monoisotopic mass458.029968 Da
  • ChemSpider ID28669444

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3S,5'R)-2-Oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate de 6-bromo-3,4-dihydro-2H-thiochromén-4-yle [French] [ACD/IUPAC Name]
6-Brom-3,4-dihydro-2H-thiochromen-4-yl-(3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylat [German] [ACD/IUPAC Name]
6-Bromo-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate [ACD/IUPAC Name]
Spiro[3H-indole-3,3'-pyrrolidine]-5'-carboxylic acid, 1,2-dihydro-2-oxo-, 6-bromo-3,4-dihydro-2H-1-benzothiopyran-4-yl ester, (3S,5'R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 621.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.6±31.5 °C
Index of Refraction: 1.721
Molar Refractivity: 112.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 8.72
ACD/KOC (pH 5.5): 54.11
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 263.95
ACD/KOC (pH 7.4): 1637.91
Polar Surface Area: 93 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 73.3±5.0 dyne/cm
Molar Volume: 283.3±5.0 cm3

Click to predict properties on the Chemicalize site


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