ChemSpider 2D Image | (1'R,2'R)-1'-Benzoyl-2'-(3-methoxyphenyl)-7'-methyl-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione | C35H27NO4

(1'R,2'R)-1'-Benzoyl-2'-(3-methoxyphenyl)-7'-methyl-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione

  • Molecular FormulaC35H27NO4
  • Average mass525.593 Da
  • Monoisotopic mass525.194031 Da
  • ChemSpider ID22872859

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1'R,2'R)-1'-Benzoyl-2'-(3-methoxyphenyl)-7'-methyl-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione [ACD/IUPAC Name]
Spiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione, 1'-benzoyl-1',2'-dihydro-2'-(3-methoxyphenyl)-7'-methyl-, (1'R,2'R)- [ACD/Index Name]
(1R,2R)-1-benzoyl-2-(3-methoxyphenyl)-7-methylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
(1'R,2'R)-2'-(3-methoxyphenyl)-7'-methyl-1'-(phenylcarbonyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione
1216946-40-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 745.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.8±32.9 °C
Index of Refraction: 1.711
Molar Refractivity: 151.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.25
ACD/LogD (pH 5.5): 6.66
ACD/BCF (pH 5.5): 68082.34
ACD/KOC (pH 5.5): 100206.63
ACD/LogD (pH 7.4): 6.66
ACD/BCF (pH 7.4): 68175.18
ACD/KOC (pH 7.4): 100343.26
Polar Surface Area: 64 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 387.1±5.0 cm3

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