ChemSpider 2D Image | 4-{(E)-[4-(3-Methylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-{3-[methyl(phenyl)amino]propyl}benzamide | C34H33N3O3

4-{(E)-[4-(3-Methylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-{3-[methyl(phenyl)amino]propyl}benzamide

  • Molecular FormulaC34H33N3O3
  • Average mass531.644 Da
  • Monoisotopic mass531.252197 Da
  • ChemSpider ID22958964

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{(E)-[4-(3-Methylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yliden]methyl}-N-{3-[methyl(phenyl)amino]propyl}benzamid [German] [ACD/IUPAC Name]
4-{(E)-[4-(3-Methylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-{3-[methyl(phenyl)amino]propyl}benzamide [ACD/IUPAC Name]
4-{(E)-[4-(3-Méthylbenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidène]méthyl}-N-{3-[méthyl(phényl)amino]propyl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[(E)-[3,4-dihydro-4-[(3-methylphenyl)methyl]-3-oxo-2H-1,4-benzoxazin-2-ylidene]methyl]-N-[3-(methylphenylamino)propyl]- [ACD/Index 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: 733.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.5±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 160.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 6400.81
ACD/KOC (pH 5.5): 15986.94
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10518.59
ACD/KOC (pH 7.4): 26271.66
Polar Surface Area: 62 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 433.0±3.0 cm3

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