ChemSpider 2D Image | N-Methyl-N-(2-{4-[2-methyl-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-1-piperazinyl}-2-oxoethyl)methanesulfonamide | C18H31N7O3S

N-Methyl-N-(2-{4-[2-methyl-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-1-piperazinyl}-2-oxoethyl)methanesulfonamide

  • Molecular FormulaC18H31N7O3S
  • Average mass425.549 Da
  • Monoisotopic mass425.220917 Da
  • ChemSpider ID58426939

More details:

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

Methanesulfonamide, N-methyl-N-[2-[4-[2-methyl-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-1-piperazinyl]-2-oxoethyl]- [ACD/Index Name]
N-Methyl-N-(2-{4-[2-methyl-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-1-piperazinyl}-2-oxoethyl)methanesulfonamide [ACD/IUPAC Name]
N-Méthyl-N-(2-{4-[2-méthyl-6-(4-méthyl-1-pipérazinyl)-4-pyrimidinyl]-1-pipérazinyl}-2-oxoéthyl)méthanesulfonamide [French] [ACD/IUPAC Name]
N-Methyl-N-(2-{4-[2-methyl-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-1-piperazinyl}-2-oxoethyl)methansulfonamid [German] [ACD/IUPAC Name]
N-methyl-N-(2-(4-(2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl)piperazin-1-yl)-2-oxoethyl)methanesulfonamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 647.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 345.2±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 111.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.91
ACD/LogD (pH 5.5): -3.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 331.4±3.0 cm3

Click to predict properties on the Chemicalize site


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