ChemSpider 2D Image | (2S,5'S)-4''-Cyano-7,7''-dimethoxy-3',6'-dioxo-1,1'',3,3''-tetrahydrodispiro[indene-2,2'-piperazine-5',2''-indene]-4-carboxamide | C24H22N4O5

(2S,5'S)-4''-Cyano-7,7''-dimethoxy-3',6'-dioxo-1,1'',3,3''-tetrahydrodispiro[indene-2,2'-piperazine-5',2''-indene]-4-carboxamide

  • Molecular FormulaC24H22N4O5
  • Average mass446.455 Da
  • Monoisotopic mass446.159027 Da
  • ChemSpider ID24726265

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5'S)-4''-Cyan-7,7''-dimethoxy-3',6'-dioxo-1,1'',3,3''-tetrahydrodispiro[indene-2,2'-piperazine-5',2''-indene]-4-carboxamid [German] [ACD/IUPAC Name]
(2S,5'S)-4''-Cyano-7,7''-dimethoxy-3',6'-dioxo-1,1'',3,3''-tetrahydrodispiro[indene-2,2'-piperazine-5',2''-indene]-4-carboxamide [ACD/IUPAC Name]
(2S,5'S)-4''-Cyano-7,7''-diméthoxy-3',6'-dioxo-1,1'',3,3''-tétrahydrodispiro[indene-2,2'-piperazine-5',2''-indene]-4-carboxamide [French] [ACD/IUPAC Name]
Dispiro[2H-indene-2,2'-piperazine-5',2''-[2H]indene]-4-carboxamide, 4''-cyano-1,1'',3,3''-tetrahydro-7,7''-dimethoxy-3',6'-dioxo-, (2S,5'S)- [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: 842.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.4±3.0 kJ/mol
Flash Point: 463.1±34.3 °C
Index of Refraction: 1.690
Molar Refractivity: 115.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.12
ACD/KOC (pH 5.5): 155.83
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.12
ACD/KOC (pH 7.4): 155.83
Polar Surface Area: 144 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 79.6±5.0 dyne/cm
Molar Volume: 302.4±5.0 cm3

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