ChemSpider 2D Image | 2-Isopropyl-4-methyl-6-{4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl}pyrimidine | C23H32N6O4S

2-Isopropyl-4-methyl-6-{4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl}pyrimidine

  • Molecular FormulaC23H32N6O4S
  • Average mass488.603 Da
  • Monoisotopic mass488.220581 Da
  • ChemSpider ID22055097

More details:






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

2-Isopropyl-4-methyl-6-{4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl}pyrimidin [German] [ACD/IUPAC Name]
2-Isopropyl-4-methyl-6-{4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl}pyrimidine [ACD/IUPAC Name]
2-Isopropyl-4-méthyl-6-{4-[2-nitro-4-(1-pipéridinylsulfonyl)phényl]-1-pipérazinyl}pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-methyl-2-(1-methylethyl)-6-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazinyl]- [ACD/Index Name]
2-ISOPROPYL-4-METHYL-6-{4-[2-NITRO-4-(PIPERIDINE-1-SULFONYL)PHENYL]PIPERAZIN-1-YL}PYRIMIDINE
4-METHYL-6-{4-[2-NITRO-4-(PIPERIDINE-1-SULFONYL)PHENYL]PIPERAZIN-1-YL}-2-(PROPAN-2-YL)PYRIMIDINE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 672.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 360.3±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 4.50
ACD/KOC (pH 5.5): 21.57
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 85.80
ACD/KOC (pH 7.4): 411.65
Polar Surface Area: 124 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 376.9±3.0 cm3

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