ChemSpider 2D Image | 5'-Benzyl-1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3'-isobutyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione | C34H34N4O4

5'-Benzyl-1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3'-isobutyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione

  • Molecular FormulaC34H34N4O4
  • Average mass562.658 Da
  • Monoisotopic mass562.257996 Da
  • ChemSpider ID4100395

More details:

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

5'-Benzyl-1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3'-isobutyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione [ACD/IUPAC Name]
Spiro[3H-indole-3,1'(2'H)-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,1H)-trione, 1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2',3',3'a,6'a-tetrahydro-3'-(2-methylpropyl)-5'-(phenylmethyl)- [ACD/Index Name]
5'-benzyl-1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3'-(2-methylpropyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
9-(2-indolinyl-2-oxoethyl)-4-(2-methylpropyl)-2-benzylspiro[2,4,5,6,3a,6a-hexahydro-2,5-diazapentalene-6,3'-indoline]-1,3,10-trione

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

A3565/0151261 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 875.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.3±3.0 kJ/mol
Flash Point: 483.5±34.3 °C
Index of Refraction: 1.698
Molar Refractivity: 157.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4327.04
ACD/KOC (pH 5.5): 13081.08
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5400.11
ACD/KOC (pH 7.4): 16325.06
Polar Surface Area: 90 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 409.3±5.0 cm3

Click to predict properties on the Chemicalize site


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