ChemSpider 2D Image | 1-[2-(2,3-Dihydro-1H-indol-1-yl)-2-oxoethyl]-3'-isobutyl-5'-phenyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione | C33H32N4O4

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

  • Molecular FormulaC33H32N4O4
  • Average mass548.632 Da
  • Monoisotopic mass548.242371 Da
  • ChemSpider ID4099978

More details:

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

1-[2-(2,3-Dihydro-1H-indol-1-yl)-2-oxoethyl]-3'-isobutyl-5'-phenyl-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'-phenyl- [ACD/Index Name]
1-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3'-(2-methylpropyl)-5'-phenyl-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-phenylspiro[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

A3547/0150372 [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: 879.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.8±3.0 kJ/mol
Flash Point: 485.7±34.3 °C
Index of Refraction: 1.707
Molar Refractivity: 153.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 1989.12
ACD/KOC (pH 5.5): 7548.98
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2426.72
ACD/KOC (pH 7.4): 9209.72
Polar Surface Area: 90 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 393.3±5.0 cm3

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