ChemSpider 2D Image | 3-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-4-{[4-(1-pyrrolidinyl)phenyl]amino}-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2,5-dione | C27H24F3N5O2S

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

  • Molecular FormulaC27H24F3N5O2S
  • Average mass539.572 Da
  • Monoisotopic mass539.160278 Da
  • ChemSpider ID60083692

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-[[4-(1-pyrrolidinyl)phenyl]amino]-1-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
3-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-4-{[4-(1-pyrrolidinyl)phenyl]amino}-1-[3-(trifluormethyl)phenyl]-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-4-{[4-(1-pyrrolidinyl)phenyl]amino}-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-[(4,6-Diméthyl-2-pyrimidinyl)sulfanyl]-4-{[4-(1-pyrrolidinyl)phényl]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: 1.5±0.1 g/cm3
Boiling Point: 671.8±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: 360.1±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 129.84
ACD/KOC (pH 5.5): 703.88
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 657.56
ACD/KOC (pH 7.4): 3564.67
Polar Surface Area: 104 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 370.5±5.0 cm3

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