ChemSpider 2D Image | 1-(2-Acetylphenyl)-3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-4-[4-(2-pyrimidinyl)-1-piperazinyl]-1H-pyrrole-2,5-dione | C26H25N7O3S

1-(2-Acetylphenyl)-3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-4-[4-(2-pyrimidinyl)-1-piperazinyl]-1H-pyrrole-2,5-dione

  • Molecular FormulaC26H25N7O3S
  • Average mass515.587 Da
  • Monoisotopic mass515.173950 Da
  • ChemSpider ID60131484

More details:

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

1-(2-Acetylphenyl)-3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-4-[4-(2-pyrimidinyl)-1-piperazinyl]-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
1-(2-Acetylphenyl)-3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-4-[4-(2-pyrimidinyl)-1-piperazinyl]-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
1-(2-Acétylphényl)-3-[(4,6-diméthyl-2-pyrimidinyl)sulfanyl]-4-[4-(2-pyrimidinyl)-1-pipérazinyl]-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
1H-Pyrrole-2,5-dione, 1-(2-acetylphenyl)-3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-[4-(2-pyrimidinyl)-1-piperazinyl]- [ACD/Index 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: 726.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 393.2±35.7 °C
Index of Refraction: 1.711
Molar Refractivity: 138.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 22.75
ACD/KOC (pH 5.5): 302.17
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.53
ACD/KOC (pH 7.4): 392.28
Polar Surface Area: 138 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 86.2±5.0 dyne/cm
Molar Volume: 353.4±5.0 cm3

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