ChemSpider 2D Image | [4-(1-Methyl-4-piperidinyl)-1-piperazinyl](1-{[5-(1H-pyrazol-5-yl)-2-furyl]sulfonyl}-4-piperidinyl)methanone | C23H34N6O4S

[4-(1-Methyl-4-piperidinyl)-1-piperazinyl](1-{[5-(1H-pyrazol-5-yl)-2-furyl]sulfonyl}-4-piperidinyl)methanone

  • Molecular FormulaC23H34N6O4S
  • Average mass490.619 Da
  • Monoisotopic mass490.236237 Da
  • ChemSpider ID28969047

More details:

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

[4-(1-Methyl-4-piperidinyl)-1-piperazinyl](1-{[5-(1H-pyrazol-5-yl)-2-furyl]sulfonyl}-4-piperidinyl)methanon [German] [ACD/IUPAC Name]
[4-(1-Methyl-4-piperidinyl)-1-piperazinyl](1-{[5-(1H-pyrazol-5-yl)-2-furyl]sulfonyl}-4-piperidinyl)methanone [ACD/IUPAC Name]
[4-(1-Méthyl-4-pipéridinyl)-1-pipérazinyl](1-{[5-(1H-pyrazol-5-yl)-2-furyl]sulfonyl}-4-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(1-methyl-4-piperidinyl)-1-piperazinyl][1-[[5-(1H-pyrazol-5-yl)-2-furanyl]sulfonyl]-4-piperidinyl]- [ACD/Index Name]
1-(1-methylpiperidin-4-yl)-4-[(1-{[5-(1H-pyrazol-5-yl)-2-furyl]sulfonyl}piperidin-4-yl)carbonyl]piperazine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 719.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 389.1±35.7 °C
Index of Refraction: 1.606
Molar Refractivity: 128.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.83
ACD/LogD (pH 5.5): -2.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 371.4±3.0 cm3

Click to predict properties on the Chemicalize site


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