ChemSpider 2D Image | 5-(4-Methylbenzoyl)-4-(4-methylphenyl)-1-[(E)-(1-phenylethylidene)amino]-2(1H)-pyrimidinone | C27H23N3O2

5-(4-Methylbenzoyl)-4-(4-methylphenyl)-1-[(E)-(1-phenylethylidene)amino]-2(1H)-pyrimidinone

  • Molecular FormulaC27H23N3O2
  • Average mass421.490 Da
  • Monoisotopic mass421.179016 Da
  • ChemSpider ID21185397

  • Double-bond stereo - Double-bond stereo

More details:

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

2(1H)-Pyrimidinone, 5-(4-methylbenzoyl)-4-(4-methylphenyl)-1-[[(1E)-1-phenylethylidene]amino]- [ACD/Index Name]
5-(4-Methylbenzoyl)-4-(4-methylphenyl)-1-[(E)-(1-phenylethyliden)amino]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
5-(4-Methylbenzoyl)-4-(4-methylphenyl)-1-[(E)-(1-phenylethylidene)amino]-2(1H)-pyrimidinone [ACD/IUPAC Name]
5-(4-Méthylbenzoyl)-4-(4-méthylphényl)-1-[(E)-(1-phényléthylidène)amino]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 581.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.2±32.9 °C
Index of Refraction: 1.619
Molar Refractivity: 128.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2325.31
ACD/KOC (pH 5.5): 8939.69
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2325.31
ACD/KOC (pH 7.4): 8939.71
Polar Surface Area: 62 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 365.0±7.0 cm3

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