ChemSpider 2D Image | 1-(4-{4-[1-Propyl-3-(4-thiomorpholinylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1-piperazinyl}phenyl)ethanone | C27H37N5O2S

1-(4-{4-[1-Propyl-3-(4-thiomorpholinylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1-piperazinyl}phenyl)ethanone

  • Molecular FormulaC27H37N5O2S
  • Average mass495.680 Da
  • Monoisotopic mass495.266785 Da
  • ChemSpider ID22211138

More details:

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

1-(4-{4-[1-Propyl-3-(4-thiomorpholinylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1-piperazinyl}phenyl)ethanon [German] [ACD/IUPAC Name]
1-(4-{4-[1-Propyl-3-(4-thiomorpholinylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1-piperazinyl}phenyl)ethanone [ACD/IUPAC Name]
1-(4-{4-[1-Propyl-3-(4-thiomorpholinylcarbonyl)-4,5,6,7-tétrahydro-1H-indazol-5-yl]-1-pipérazinyl}phényl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[4-[4,5,6,7-tetrahydro-1-propyl-3-(4-thiomorpholinylcarbonyl)-1H-indazol-5-yl]-1-piperazinyl]phenyl]- [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: 727.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.8±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 142.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 5.42
ACD/KOC (pH 5.5): 67.86
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.09
ACD/KOC (pH 7.4): 426.58
Polar Surface Area: 87 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 379.4±7.0 cm3

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