ChemSpider 2D Image | (3S,6Z)-3-Methyl-6-{[2-(2-methyl-3-buten-2-yl)-5-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methylene}-2,5-piperazinedione | C24H29N3O2

(3S,6Z)-3-Methyl-6-{[2-(2-methyl-3-buten-2-yl)-5-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methylene}-2,5-piperazinedione

  • Molecular FormulaC24H29N3O2
  • Average mass391.506 Da
  • Monoisotopic mass391.225983 Da
  • ChemSpider ID23311315
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S,6Z)-3-Methyl-6-{[2-(2-methyl-3-buten-2-yl)-5-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methylen}-2,5-piperazindion [German] [ACD/IUPAC Name]
(3S,6Z)-3-Methyl-6-{[2-(2-methyl-3-buten-2-yl)-5-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methylene}-2,5-piperazinedione [ACD/IUPAC Name]
(3S,6Z)-3-Méthyl-6-{[2-(2-méthyl-3-butén-2-yl)-5-(3-méthyl-2-butén-1-yl)-1H-indol-3-yl]méthylène}-2,5-pipérazinedione [French] [ACD/IUPAC Name]
(3S,6Z)-3-methyl-6-{[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methylidene}piperazine-2,5-dione
2,5-Piperazinedione, 3-[[2-(1,1-dimethyl-2-propen-1-yl)-5-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methylene]-6-methyl-, (3Z,6S)- [ACD/Index Name]
60422-87-9 [RN]
isoechinulin A

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

7FXA0TK91G [DBID]
UNII:7FXA0TK91G [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 682.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.5±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 892.56
ACD/KOC (pH 5.5): 4504.72
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 892.51
ACD/KOC (pH 7.4): 4504.45
Polar Surface Area: 74 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 345.8±3.0 cm3

Click to predict properties on the Chemicalize site






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