ChemSpider 2D Image | 3-[(3R,3'S,3a'S,6a'R)-5-Chloro-5'-(4-fluorobenzyl)-7-methyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide | C24H22ClFN4O4

3-[(3R,3'S,3a'S,6a'R)-5-Chloro-5'-(4-fluorobenzyl)-7-methyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide

  • Molecular FormulaC24H22ClFN4O4
  • Average mass484.907 Da
  • Monoisotopic mass484.131348 Da
  • ChemSpider ID62418234

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-[(3R,3'S,3a'S,6a'R)-5-Chloro-5'-(4-fluorobenzyl)-7-methyl-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanamide [ACD/IUPAC Name]
Spiro[3H-indole-3,1'(2'H)-pyrrolo[3,4-c]pyrrole]-3'-propanamide, 5-chloro-5'-[(4-fluorophenyl)methyl]-1,2,3',3'a,4',5',6',6'a-octahydro-7-methyl-2,4',6'-trioxo-, (3R,3'S,3'aS,6'aR)- [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: 814.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 446.3±34.3 °C
Index of Refraction: 1.685
Molar Refractivity: 121.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 44.21
ACD/KOC (pH 5.5): 511.55
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.12
ACD/KOC (pH 7.4): 556.81
Polar Surface Area: 122 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 318.5±5.0 cm3

Click to predict properties on the Chemicalize site


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