ChemSpider 2D Image | (2'R,3R,4'R,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide | C29H35Cl2FN4O3

(2'R,3R,4'R,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide

  • Molecular FormulaC29H35Cl2FN4O3
  • Average mass577.518 Da
  • Monoisotopic mass576.207031 Da
  • ChemSpider ID25058352
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2'R,3R,4'R,5'R)-6-Chlor-4'-(3-chlor-2-fluorphenyl)-2'-(2,2-dimethylpropyl)-N-[2-(4-morpholinyl)ethyl]-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamid [German] [ACD/IUPAC Name]
(2'R,3R,4'R,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(2-morpholin-4-ylethyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
(2'R,3R,4'R,5'R)-6-Chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-[2-(4-morpholinyl)ethyl]-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide [ACD/IUPAC Name]
(2'R,3R,4'R,5'R)-6-Chloro-4'-(3-chloro-2-fluorophényl)-2'-(2,2-diméthylpropyl)-N-[2-(4-morpholinyl)éthyl]-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide [French] [ACD/IUPAC Name]
Spiro[3H-indole-3,3'-pyrrolidine]-5'-carboxamide, 6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1,2-dihydro-N-[2-(4-morpholinyl)ethyl]-2-oxo-, (2'R,3R,4'R,5'R)- [ACD/Index Name]
10.1016/j.bmc.2012.06.020

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

Density: 1.4±0.1 g/cm3
Boiling Point: 732.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 396.7±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 39.91
ACD/KOC (pH 5.5): 147.45
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2205.78
ACD/KOC (pH 7.4): 8148.95
Polar Surface Area: 83 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 426.9±5.0 cm3

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