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Search term: HRDOIKMHSZXEOA-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Methyl-1-[2-(1-piperazinyl)-1,3-thiazol-4-yl]-2,5,6,7-tetrahydro-4H-isoindol-4-one | C16H20N4OS

3-Methyl-1-[2-(1-piperazinyl)-1,3-thiazol-4-yl]-2,5,6,7-tetrahydro-4H-isoindol-4-one

  • Molecular FormulaC16H20N4OS
  • Average mass316.421 Da
  • Monoisotopic mass316.135773 Da
  • ChemSpider ID129205754

More details:

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

3-Methyl-1-[2-(1-piperazinyl)-1,3-thiazol-4-yl]-2,5,6,7-tetrahydro-4H-isoindol-4-on [German] [ACD/IUPAC Name]
3-Methyl-1-[2-(1-piperazinyl)-1,3-thiazol-4-yl]-2,5,6,7-tetrahydro-4H-isoindol-4-one [ACD/IUPAC Name]
3-Méthyl-1-[2-(1-pipérazinyl)-1,3-thiazol-4-yl]-2,5,6,7-tétrahydro-4H-isoindol-4-one [French] [ACD/IUPAC Name]
4H-Isoindol-4-one, 2,5,6,7-tetrahydro-3-methyl-1-[2-(1-piperazinyl)-4-thiazolyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 592.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.1±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 2.71
ACD/KOC (pH 7.4): 38.13
Polar Surface Area: 89 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 243.6±3.0 cm3

Click to predict properties on the Chemicalize site


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