ChemSpider 2D Image | N-[6-(4-Methyl-1-piperazinyl)-4-pyrimidinyl]-1-[6-(2-thienyl)-3-pyridazinyl]-3-piperidinecarboxamide | C23H28N8OS

N-[6-(4-Methyl-1-piperazinyl)-4-pyrimidinyl]-1-[6-(2-thienyl)-3-pyridazinyl]-3-piperidinecarboxamide

  • Molecular FormulaC23H28N8OS
  • Average mass464.586 Da
  • Monoisotopic mass464.210663 Da
  • ChemSpider ID39369119

More details:

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

3-Piperidinecarboxamide, N-[6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-1-[6-(2-thienyl)-3-pyridazinyl]- [ACD/Index Name]
N-[6-(4-Methyl-1-piperazinyl)-4-pyrimidinyl]-1-[6-(2-thienyl)-3-pyridazinyl]-3-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[6-(4-Methyl-1-piperazinyl)-4-pyrimidinyl]-1-[6-(2-thienyl)-3-pyridazinyl]-3-piperidinecarboxamide [ACD/IUPAC Name]
N-[6-(4-Méthyl-1-pipérazinyl)-4-pyrimidinyl]-1-[6-(2-thiényl)-3-pyridazinyl]-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
N-(6-(4-methylpiperazin-1-yl)pyrimidin-4-yl)-1-(6-(thiophen-2-yl)pyridazin-3-yl)piperidine-3-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 781.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 426.7±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 128.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.35
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 28.69
ACD/KOC (pH 7.4): 332.52
Polar Surface Area: 119 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 67.5±3.0 dyne/cm
Molar Volume: 351.3±3.0 cm3

Click to predict properties on the Chemicalize site


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