ChemSpider 2D Image | 2-(5-Chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)-1H-pyrrole-3-carboxamide | C28H30ClN7O

2-(5-Chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)-1H-pyrrole-3-carboxamide

  • Molecular FormulaC28H30ClN7O
  • Average mass516.037 Da
  • Monoisotopic mass515.220032 Da
  • ChemSpider ID35035729

More details:






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

1H-Pyrrole-3-carboxamide, 2-(5-chloro-2-methylphenyl)-1-methyl-5-[2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]- [ACD/Index Name]
2-(5-Chlor-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)-1H-pyrrol-3-carboxamid [German] [ACD/IUPAC Name]
2-(5-Chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methyl-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)-1H-pyrrole-3-carboxamide [ACD/IUPAC Name]
2-(5-Chloro-2-méthylphényl)-1-méthyl-5-(2-{[4-(4-méthyl-1-pipérazinyl)phényl]amino}-4-pyrimidinyl)-1H-pyrrole-3-carboxamide [French] [ACD/IUPAC Name]
2-(5-Chloro-2-Methylphenyl)-1-Methyl-5-(2-{[4-(4-Methylpiperazin-1-Yl)phenyl]amino}pyrimidin-4-Yl)-1h-Pyrrole-3-Carboxamide
BJG

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

Density: 1.3±0.1 g/cm3
Boiling Point: 699.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.8±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 146.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 4.57
ACD/KOC (pH 5.5): 24.34
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 242.68
ACD/KOC (pH 7.4): 1294.06
Polar Surface Area: 92 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 387.4±7.0 cm3

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