ChemSpider 2D Image | (2'S,3R,4'S,5'R)-N-(4-Carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide | C30H29Cl2FN4O3

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

  • Molecular FormulaC30H29Cl2FN4O3
  • Average mass583.481 Da
  • Monoisotopic mass582.160095 Da
  • ChemSpider ID35033793

  • 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-(4-Carbamoylphenyl)-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-(4-Carbamoylphenyl)-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-(4-Carbamoylphényl)-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-[4-(aminocarbonyl)phenyl]-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]
20U

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

Density: 1.4±0.1 g/cm3
Boiling Point: 777.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 424.1±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 152.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 2563.10
ACD/KOC (pH 5.5): 6092.20
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12029.09
ACD/KOC (pH 7.4): 28591.81
Polar Surface Area: 113 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 411.1±5.0 cm3

Click to predict properties on the Chemicalize site


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