ChemSpider 2D Image | Ethyl 3-[acetyl(3,5-dimethylphenyl)amino]-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-pyrazole-4-carboxylate | C30H29N7O3

Ethyl 3-[acetyl(3,5-dimethylphenyl)amino]-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-pyrazole-4-carboxylate

  • Molecular FormulaC30H29N7O3
  • Average mass535.596 Da
  • Monoisotopic mass535.233215 Da
  • ChemSpider ID26618312

More details:

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

1H-Pyrazole-4-carboxylic acid, 3-[acetyl(3,5-dimethylphenyl)amino]-1-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, ethyl ester [ACD/Index Name]
3-[Acétyl(3,5-diméthylphényl)amino]-1-{[2'-(1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-[acetyl(3,5-dimethylphenyl)amino]-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-3-[acetyl(3,5-dimethylphenyl)amino]-1-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 844.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 464.7±37.1 °C
Index of Refraction: 1.662
Molar Refractivity: 153.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 96.36
ACD/KOC (pH 5.5): 397.77
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 19.13
ACD/KOC (pH 7.4): 78.98
Polar Surface Area: 119 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 414.9±7.0 cm3

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