ChemSpider 2D Image | 3-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-4-{ethyl[2-(4-pyridinyl)ethyl]amino}-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2,5-dione | C26H24F3N5O2S

3-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-4-{ethyl[2-(4-pyridinyl)ethyl]amino}-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2,5-dione

  • Molecular FormulaC26H24F3N5O2S
  • Average mass527.561 Da
  • Monoisotopic mass527.160278 Da
  • ChemSpider ID60128532

More details:

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

1H-Pyrrole-2,5-dione, 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-[ethyl[2-(4-pyridinyl)ethyl]amino]-1-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
3-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-4-{ethyl[2-(4-pyridinyl)ethyl]amino}-1-[3-(trifluormethyl)phenyl]-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-4-{ethyl[2-(4-pyridinyl)ethyl]amino}-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-[(4,6-Diméthyl-2-pyrimidinyl)sulfanyl]-4-{éthyl[2-(4-pyridinyl)éthyl]amino}-1-[3-(trifluorométhyl)phényl]-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: 647.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.6±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 134.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 199.44
ACD/KOC (pH 5.5): 1046.69
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 750.27
ACD/KOC (pH 7.4): 3937.45
Polar Surface Area: 105 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 375.3±5.0 cm3

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