ChemSpider 2D Image | 1-{4-[1-Allyl-3-(1-azepanylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1-piperazinyl}ethanone | C23H35N5O2

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

  • Molecular FormulaC23H35N5O2
  • Average mass413.556 Da
  • Monoisotopic mass413.279083 Da
  • ChemSpider ID22182342

More details:

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

1-{4-[1-Allyl-3-(1-azepanylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
1-{4-[1-Allyl-3-(1-azepanylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
1-{4-[1-Allyl-3-(1-azépanylcarbonyl)-4,5,6,7-tétrahydro-1H-indazol-5-yl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[3-[(hexahydro-1H-azepin-1-yl)carbonyl]-4,5,6,7-tetrahydro-1-(2-propen-1-yl)-1H-indazol-5-yl]-1-piperazinyl]- [ACD/Index Name]
5-(4-acetyl-1-piperazinyl)-1-allyl-3-(1-azepanylcarbonyl)-4,5,6,7-tetrahydro-1H-indazole

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

Density: 1.3±0.1 g/cm3
Boiling Point: 641.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.6±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 118.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.88
ACD/KOC (pH 5.5): 38.21
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 6.41
ACD/KOC (pH 7.4): 130.47
Polar Surface Area: 62 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 329.3±7.0 cm3

Click to predict properties on the Chemicalize site


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