Found 494 results

Search term: MF = 'C_{31}H_{26}N_{4}O_{4}'
ChemSpider 2D Image | (3a'S,6a'R)-5'-(4-Acetylphenyl)-3'-(1H-indol-3-ylmethyl)-5-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione | C31H26N4O4

(3a'S,6a'R)-5'-(4-Acetylphenyl)-3'-(1H-indol-3-ylmethyl)-5-methyl-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione

  • Molecular FormulaC31H26N4O4
  • Average mass518.563 Da
  • Monoisotopic mass518.195435 Da
  • ChemSpider ID17469087

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3a'S,6a'R)-5'-(4-Acetylphenyl)-3'-(1H-indol-3-ylmethyl)-5-methyl-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, 5'-(4-acetylphenyl)-2',3',3'a,6'a-tetrahydro-3'-(1H-indol-3-ylmethyl)-5-methyl-, (3a'S,6a'R)- [ACD/Index Name]
(3aR,6aS)-5-(4-acetylphenyl)-1-(1H-indol-3-ylmethyl)-5'-methylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
956960-66-0 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 873.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 127.0±3.0 kJ/mol
    Flash Point: 482.1±34.3 °C
    Index of Refraction: 1.748
    Molar Refractivity: 144.0±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 3.75
    ACD/LogD (pH 5.5): 3.34
    ACD/BCF (pH 5.5): 184.64
    ACD/KOC (pH 5.5): 1291.42
    ACD/LogD (pH 7.4): 3.53
    ACD/BCF (pH 7.4): 281.29
    ACD/KOC (pH 7.4): 1967.34
    Polar Surface Area: 111 Å2
    Polarizability: 57.1±0.5 10-24cm3
    Surface Tension: 79.7±5.0 dyne/cm
    Molar Volume: 354.2±5.0 cm3

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