ChemSpider 2D Image | 5-[4-({Acetyl[4-(5-carboxy-2-furyl)benzyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid | C31H23Cl2N3O6

5-[4-({Acetyl[4-(5-carboxy-2-furyl)benzyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC31H23Cl2N3O6
  • Average mass604.437 Da
  • Monoisotopic mass603.096375 Da
  • ChemSpider ID35035166

More details:






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

1H-Pyrazole-3-carboxylic acid, 5-[4-[[acetyl[[4-(5-carboxy-2-furanyl)phenyl]methyl]amino]methyl]phenyl]-1-(3,4-dichlorophenyl)- [ACD/Index Name]
5-[4-({Acetyl[4-(5-carboxy-2-furyl)benzyl]amino}methyl)phenyl]-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
5-[4-({Acetyl[4-(5-carboxy-2-furyl)benzyl]amino}methyl)phenyl]-1-(3,4-dichlorphenyl)-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-[4-({acetyl[4-(5-Carboxyfuran-2-Yl)benzyl]amino}methyl)phenyl]-1-(3,4-Dichlorophenyl)-1h-Pyrazole-3-Carboxylic Acid
Acide 5-[4-({acétyl[4-(5-carboxy-2-furyl)benzyl]amino}méthyl)phényl]-1-(3,4-dichlorophényl)-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
3HZ

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 864.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 476.3±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 158.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 6.13
ACD/KOC (pH 5.5): 10.29
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 3.04
ACD/KOC (pH 7.4): 5.10
Polar Surface Area: 126 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 425.0±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement