ChemSpider 2D Image | (2'S,3R,4'S,5'R)-N-(2-Aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide | C25H29Cl2FN4O2

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

  • Molecular FormulaC25H29Cl2FN4O2
  • Average mass507.428 Da
  • Monoisotopic mass506.165161 Da
  • ChemSpider ID35033681
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2'S,3R,4'S,5'R)-N-(2-Aminoethyl)-6-chlor-4'-(3-chlor-2-fluorphenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamid [German] [ACD/IUPAC Name]
(2'S,3R,4'S,5'R)-N-(2-Aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide [ACD/IUPAC Name]
(2'S,3R,4'S,5'R)-N-(2-Aminoéthyl)-6-chloro-4'-(3-chloro-2-fluorophényl)-2'-(2,2-diméthylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide [French] [ACD/IUPAC Name]
Spiro[3H-indole-3,3'-pyrrolidine]-5'-carboxamide, N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-1,2-dihydro-2-oxo-, (2'S,3R,4'S,5'R)- [ACD/Index Name]
1MT

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

Density: 1.4±0.1 g/cm3
Boiling Point: 684.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.7±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 132.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.99
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 65.58
ACD/KOC (pH 7.4): 310.73
Polar Surface Area: 96 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 372.6±5.0 cm3

Click to predict properties on the Chemicalize site






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