ChemSpider 2D Image | (5Z)-5-(4-Hydroxy-3-isopropyl-6-oxo-2,4-cyclohexadien-1-ylidene)-4-(1-methyl-1H-indol-5-yl)-1,2,4-triazolidin-3-one | C20H20N4O3

(5Z)-5-(4-Hydroxy-3-isopropyl-6-oxo-2,4-cyclohexadien-1-ylidene)-4-(1-methyl-1H-indol-5-yl)-1,2,4-triazolidin-3-one

  • Molecular FormulaC20H20N4O3
  • Average mass364.398 Da
  • Monoisotopic mass364.153534 Da
  • ChemSpider ID33824047

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-5-(4-Hydroxy-3-isopropyl-6-oxo-2,4-cyclohexadien-1-yliden)-4-(1-methyl-1H-indol-5-yl)-1,2,4-triazolidin-3-on [German] [ACD/IUPAC Name]
(5Z)-5-(4-Hydroxy-3-isopropyl-6-oxo-2,4-cyclohexadien-1-ylidene)-4-(1-methyl-1H-indol-5-yl)-1,2,4-triazolidin-3-one [ACD/IUPAC Name]
(5Z)-5-(4-Hydroxy-3-isopropyl-6-oxo-2,4-cyclohexadién-1-ylidène)-4-(1-méthyl-1H-indol-5-yl)-1,2,4-triazolidin-3-one [French] [ACD/IUPAC Name]
1,2,4-Triazolidin-3-one, 5-[4-hydroxy-3-(1-methylethyl)-6-oxo-2,4-cyclohexadien-1-ylidene]-4-(1-methyl-1H-indol-5-yl)-, (5Z)- [ACD/Index Name]
(Z)-5-(4-hydroxy-3-isopropyl-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(1-methyl-1H-indol-5-yl)-1,2,4-triazolidin-3-one
Ganetespib [INN] [USAN]
Ganetespib (STA-9090)
STA9090, STA 9090

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 100.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 2.09
ACD/KOC (pH 5.5): 31.67
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 55.0±7.0 dyne/cm
Molar Volume: 260.6±7.0 cm3

Click to predict properties on the Chemicalize site


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