Found 106 results

Search term: MF = 'C_{21}H_{28}N_{8}O_{2}S'
ChemSpider 2D Image | N-(4-Methyl-3-{[6-(4-methyl-1-piperazinyl)pyrimido[5,4-d]pyrimidin-4-yl]amino}phenyl)-1-propanesulfonamide | C21H28N8O2S

N-(4-Methyl-3-{[6-(4-methyl-1-piperazinyl)pyrimido[5,4-d]pyrimidin-4-yl]amino}phenyl)-1-propanesulfonamide

  • Molecular FormulaC21H28N8O2S
  • Average mass456.564 Da
  • Monoisotopic mass456.205597 Da
  • ChemSpider ID58955756

More details:

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

1-Propanesulfonamide, N-[4-methyl-3-[[6-(4-methyl-1-piperazinyl)pyrimido[5,4-d]pyrimidin-4-yl]amino]phenyl]- [ACD/Index Name]
N-(4-Methyl-3-{[6-(4-methyl-1-piperazinyl)pyrimido[5,4-d]pyrimidin-4-yl]amino}phenyl)-1-propanesulfonamide [ACD/IUPAC Name]
N-(4-Méthyl-3-{[6-(4-méthyl-1-pipérazinyl)pyrimido[5,4-d]pyrimidin-4-yl]amino}phényl)-1-propanesulfonamide [French] [ACD/IUPAC Name]
N-(4-Methyl-3-{[6-(4-methyl-1-piperazinyl)pyrimido[5,4-d]pyrimidin-4-yl]amino}phenyl)-1-propansulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 639.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.7±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 123.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 18.69
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 40.38
ACD/KOC (pH 7.4): 439.37
Polar Surface Area: 125 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 72.5±3.0 dyne/cm
Molar Volume: 335.6±3.0 cm3

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