ChemSpider 2D Image | 2-Isopropyl-4-methyl-6-{4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl}pyrimidine | C22H30N6O4S

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

  • Molecular FormulaC22H30N6O4S
  • Average mass474.576 Da
  • Monoisotopic mass474.204926 Da
  • ChemSpider ID22055103

More details:






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

2-Isopropyl-4-methyl-6-{4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl}pyrimidin [German] [ACD/IUPAC Name]
2-Isopropyl-4-methyl-6-{4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl}pyrimidine [ACD/IUPAC Name]
2-Isopropyl-4-méthyl-6-{4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phényl]-1-pipérazinyl}pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-methyl-2-(1-methylethyl)-6-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 663.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 354.9±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 125.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 2.27
ACD/KOC (pH 5.5): 13.21
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 43.23
ACD/KOC (pH 7.4): 252.02
Polar Surface Area: 124 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 359.2±3.0 cm3

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