ChemSpider 2D Image | 3-[(3a'S,6a'R)-6-Chloro-5'-(4-chlorophenyl)-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 | C23H20Cl2N4O4

3-[(3a'S,6a'R)-6-Chloro-5'-(4-chlorophenyl)-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 FormulaC23H20Cl2N4O4
  • Average mass487.335 Da
  • Monoisotopic mass486.086151 Da
  • ChemSpider ID25023143

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

3-[(3a'S,6a'R)-6-Chloro-5'-(4-chlorophenyl)-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, 6-chloro-5'-(4-chlorophenyl)-1,2,3',3'a,4',5',6',6'a-octahydro-7-methyl-2,4',6'-trioxo-, (3'aS,6'aR)- [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: 835.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.4±3.0 kJ/mol
Flash Point: 459.2±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 121.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 89.99
ACD/KOC (pH 5.5): 856.74
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 95.59
ACD/KOC (pH 7.4): 910.10
Polar Surface Area: 122 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 80.2±5.0 dyne/cm
Molar Volume: 308.8±5.0 cm3

Click to predict properties on the Chemicalize site


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