Found 45 results

Search term: MF = 'C_{29}H_{28}ClF_{3}N_{4}O_{2}'
ChemSpider 2D Image | 3-{[2-Chloro-5-(trifluoromethyl)phenyl]amino}-4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1-(1-methyl-4-piperidinyl)-1H-pyrrole-2,5-dione | C29H28ClF3N4O2

3-{[2-Chloro-5-(trifluoromethyl)phenyl]amino}-4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1-(1-methyl-4-piperidinyl)-1H-pyrrole-2,5-dione

  • Molecular FormulaC29H28ClF3N4O2
  • Average mass557.006 Da
  • Monoisotopic mass556.185303 Da
  • ChemSpider ID125695781

More details:

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

1H-Pyrrole-2,5-dione, 3-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1-(1-methyl-4-piperidinyl)- [ACD/Index Name]
3-{[2-Chlor-5-(trifluormethyl)phenyl]amino}-4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1-(1-methyl-4-piperidinyl)-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-{[2-Chloro-5-(trifluoromethyl)phenyl]amino}-4-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1-(1-methyl-4-piperidinyl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-{[2-Chloro-5-(trifluorométhyl)phényl]amino}-4-[4-(2,5-diméthyl-1H-pyrrol-1-yl)phényl]-1-(1-méthyl-4-pipéridinyl)-1H-pyrrole-2,5-dione [French] [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: 626.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 332.9±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 144.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.77
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 27.53
ACD/KOC (pH 5.5): 61.73
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 1134.65
ACD/KOC (pH 7.4): 2543.99
Polar Surface Area: 58 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 408.5±7.0 cm3

Click to predict properties on the Chemicalize site


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