ChemSpider 2D Image | N-(3,4-Dimethylphenyl)-4-{[(3,5-dioxo-8-phenyl-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)acetyl]amino}benzamide | C32H31N3O4

N-(3,4-Dimethylphenyl)-4-{[(3,5-dioxo-8-phenyl-4-azatricyclo[5.2.1.02,6]dec-4-yl)acetyl]amino}benzamide

  • Molecular FormulaC32H31N3O4
  • Average mass521.606 Da
  • Monoisotopic mass521.231445 Da
  • ChemSpider ID2543545

More details:

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

4,7-Methano-2H-isoindole-2-acetamide, N-[4-[[(3,4-dimethylphenyl)amino]carbonyl]phenyl]octahydro-1,3-dioxo-5-phenyl- [ACD/Index Name]
N-(3,4-Dimethylphenyl)-4-{[(3,5-dioxo-8-phenyl-4-azatricyclo[5.2.1.02,6]dec-4-yl)acetyl]amino}benzamid [German] [ACD/IUPAC Name]
N-(3,4-Dimethylphenyl)-4-{[(3,5-dioxo-8-phenyl-4-azatricyclo[5.2.1.02,6]dec-4-yl)acetyl]amino}benzamide [ACD/IUPAC Name]
N-(3,4-Diméthylphényl)-4-{[2-(3,5-dioxo-8-phényl-4-azatricyclo[5.2.1.02,6]déc-4-yl)acétyl]amino}benzamide [French] [ACD/IUPAC Name]
1005047-16-4 [RN]
N-(3,4-dimethylphenyl)-4-{[(1,3-dioxo-5-phenyloctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 733.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.1±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 148.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1778.75
ACD/KOC (pH 5.5): 7379.55
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1778.74
ACD/KOC (pH 7.4): 7379.49
Polar Surface Area: 96 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 397.6±3.0 cm3

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