ChemSpider 2D Image | {4-[4-Methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]-1-piperazinyl}[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]methanone | C23H30N8OS

{4-[4-Methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]-1-piperazinyl}[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]methanone

  • Molecular FormulaC23H30N8OS
  • Average mass466.602 Da
  • Monoisotopic mass466.226318 Da
  • ChemSpider ID58361898

More details:

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

{4-[4-Methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]-1-piperazinyl}[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]methanon [German] [ACD/IUPAC Name]
{4-[4-Methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]-1-piperazinyl}[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]methanone [ACD/IUPAC Name]
{4-[4-Méthyl-6-(4-méthyl-1-pipérazinyl)-2-pyrimidinyl]-1-pipérazinyl}[1-méthyl-3-(2-thiényl)-1H-pyrazol-5-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]-1-piperazinyl][1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]- [ACD/Index Name]
(1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-yl)(4-(4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl)piperazin-1-yl)methanone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 720.0±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: 389.3±35.7 °C
Index of Refraction: 1.718
Molar Refractivity: 132.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.58
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 337.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement