ChemSpider 2D Image | (1'S,2'S,3a'S)-2'-(3,4-Dimethoxyphenyl)-1'-(2,2-dimethylpropanoyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione | C33H31NO5

(1'S,2'S,3a'S)-2'-(3,4-Dimethoxyphenyl)-1'-(2,2-dimethylpropanoyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione

  • Molecular FormulaC33H31NO5
  • Average mass521.603 Da
  • Monoisotopic mass521.220215 Da
  • ChemSpider ID58829408

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1'S,2'S,3a'S)-2'-(3,4-Dimethoxyphenyl)-1'-(2,2-dimethylpropanoyl)-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, 2'-(3,4-dimethoxyphenyl)-1'-(2,2-dimethyl-1-oxopropyl)-1',2'-dihydro-, (1'S,2'S,3a'S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 374.9±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 147.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7597.18
ACD/KOC (pH 5.5): 20855.98
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7605.13
ACD/KOC (pH 7.4): 20877.81
Polar Surface Area: 73 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 399.5±5.0 cm3

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