ChemSpider 2D Image | (3S,3'R,3a'R,6a'S)-7-Chloro-3'-[(R)-(4-chlorophenyl)(hydroxy)methyl]-5'-(tetrahydro-2-furanylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione | C25H23Cl2N3O5

(3S,3'R,3a'R,6a'S)-7-Chloro-3'-[(R)-(4-chlorophenyl)(hydroxy)methyl]-5'-(tetrahydro-2-furanylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione

  • Molecular FormulaC25H23Cl2N3O5
  • Average mass516.373 Da
  • Monoisotopic mass515.101501 Da
  • ChemSpider ID22882139

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3S,3'R,3a'R,6a'S)-7-Chloro-3'-[(R)-(4-chlorophenyl)(hydroxy)methyl]-5'-(tetrahydro-2-furanylmethyl)-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]
(3S,3'R,3a'R,6a'S)-7-Chloro-3'-[(R)-(4-chlorophenyl)(hydroxy)methyl]-5'-(tetrahydrofuran-2-ylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
spiro[3H-indole-3,1'(2'H)-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,1H)-trione, 7-chloro-3'-[(4-chlorophenyl)hydroxymethyl]-2',3',3'a,6'a-tetrahydro-5'-[(tetrahydro-2-furanyl)methyl]-, (3S,3'R,3a'R,6a'S)-
Spiro[3H-indole-3,1'(2'H)-pyrrolo[3,4-c]pyrrole]-2,4',6'(5'H,1H)-trione, 7-chloro-3'-[(R)-(4-chlorophenyl)hydroxymethyl]-2',3',3'a,6'a-tetrahydro-5'-[(tetrahydro-2-furanyl)methyl]-, (3S,3'R,3a'R,6a'S) - [ACD/Index Name]
(1R,3S,3aS,6aR)-7'-chloro-1-[(R)-(4-chlorophenyl)-hydroxymethyl]-5-(oxolan-2-ylmethyl)spiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
(3S,3'R,3a'R,6a'S)-7-chloro-3'-[(4-chlorophenyl)(hydroxy)methyl]-5'-(tetrahydrofuran-2-ylmethyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
1014043-11-8 [RN]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 765.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 117.0±3.0 kJ/mol
    Flash Point: 417.0±32.9 °C
    Index of Refraction: 1.711
    Molar Refractivity: 127.9±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 3.11
    ACD/LogD (pH 5.5): 2.93
    ACD/BCF (pH 5.5): 99.35
    ACD/KOC (pH 5.5): 931.22
    ACD/LogD (pH 7.4): 2.94
    ACD/BCF (pH 7.4): 101.07
    ACD/KOC (pH 7.4): 947.28
    Polar Surface Area: 108 Å2
    Polarizability: 50.7±0.5 10-24cm3
    Surface Tension: 79.1±5.0 dyne/cm
    Molar Volume: 326.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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