ChemSpider 2D Image | {4-[1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-piperazinyl}[1-(methylsulfonyl)-4-piperidinyl]methanone | C20H33N5O5S2

{4-[1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-piperazinyl}[1-(methylsulfonyl)-4-piperidinyl]methanone

  • Molecular FormulaC20H33N5O5S2
  • Average mass487.637 Da
  • Monoisotopic mass487.192322 Da
  • ChemSpider ID26304202

More details:

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

{4-[1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-piperazinyl}[1-(methylsulfonyl)-4-piperidinyl]methanon [German] [ACD/IUPAC Name]
{4-[1-(1,1-Dioxidotetrahydro-3-thiophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-piperazinyl}[1-(methylsulfonyl)-4-piperidinyl]methanone [ACD/IUPAC Name]
{4-[1-(1,1-Dioxydotétrahydro-3-thiophényl)-3,5-diméthyl-1H-pyrazol-4-yl]-1-pipérazinyl}[1-(méthylsulfonyl)-4-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[3,5-dimethyl-1-(tetrahydro-1,1-dioxido-3-thienyl)-1H-pyrazol-4-yl]-1-piperazinyl][1-(methylsulfonyl)-4-piperidinyl]- [ACD/Index Name]
(4-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl)(1-(methylsulfonyl)piperidin-4-yl)methanone
1334376-57-6 [RN]
3-{4-[4-(1-methanesulfonylpiperidine-4-carbonyl)piperazin-1-yl]-3,5-dimethyl-1H-pyrazol-1-yl}-1λ6-thiolane-1,1-dione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 756.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.4±35.7 °C
Index of Refraction: 1.687
Molar Refractivity: 123.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.22
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.00
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.28
Polar Surface Area: 130 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 62.5±7.0 dyne/cm
Molar Volume: 323.4±7.0 cm3

Click to predict properties on the Chemicalize site


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