ChemSpider 2D Image | 2-[3'-Isobutyl-5'-(4-methoxyphenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-1(2H)-yl]-N-(4-methylphenyl)acetamide | C33H34N4O5

2-[3'-Isobutyl-5'-(4-methoxyphenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-1(2H)-yl]-N-(4-methylphenyl)acetamide

  • Molecular FormulaC33H34N4O5
  • Average mass566.647 Da
  • Monoisotopic mass566.252930 Da
  • ChemSpider ID2217089

More details:

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

2-[3'-Isobutyl-5'-(4-methoxyphenyl)-2,4',6'-trioxo-3',3a',4',5',6',6a'-hexahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-1(2H)-yl]-N-(4-methylphenyl)acetamide [ACD/IUPAC Name]
Spiro[3H-indole-3,1'(2'H)-pyrrolo[3,4-c]pyrrole]-1(2H)-acetamide, 3',3'a,4',5',6',6'a-hexahydro-5'-(4-methoxyphenyl)-N-(4-methylphenyl)-3'-(2-methylpropyl)-2,4',6'-trioxo- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 885.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±3.0 kJ/mol
Flash Point: 489.2±34.3 °C
Index of Refraction: 1.672
Molar Refractivity: 156.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1500.18
ACD/KOC (pH 5.5): 6236.25
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1762.37
ACD/KOC (pH 7.4): 7326.19
Polar Surface Area: 108 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 418.7±5.0 cm3

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