Found 489 results

Search term: MF = 'C_{33}H_{29}N_{3}O_{5}'
ChemSpider 2D Image | 2-[(4-Butylphenyl)amino]-2-oxoethyl (2E)-3-[3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl]acrylate | C33H29N3O5

2-[(4-Butylphenyl)amino]-2-oxoethyl (2E)-3-[3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl]acrylate

  • Molecular FormulaC33H29N3O5
  • Average mass547.601 Da
  • Monoisotopic mass547.210693 Da
  • ChemSpider ID1818310

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[3-(2-Oxo-2H-chromén-3-yl)-1-phényl-1H-pyrazol-4-yl]acrylate de 2-[(4-butylphényl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[(4-Butylphenyl)amino]-2-oxoethyl (2E)-3-[3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl]acrylate [ACD/IUPAC Name]
2-[(4-Butylphenyl)amino]-2-oxoethyl-(2E)-3-[3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl]acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[3-(2-oxo-2H-1-benzopyran-3-yl)-1-phenyl-1H-pyrazol-4-yl]-, 2-[(4-butylphenyl)amino]-2-oxoethyl ester, (2E)- [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: 795.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 434.9±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 157.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7879.55
ACD/KOC (pH 5.5): 21414.34
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7879.63
ACD/KOC (pH 7.4): 21414.53
Polar Surface Area: 100 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 444.5±7.0 cm3

Click to predict properties on the Chemicalize site


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