ChemSpider 2D Image | 2-{[(4-Butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)(phenyl)methyl]amino}benzoic acid | C33H31N3O4

2-{[(4-Butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)(phenyl)methyl]amino}benzoic acid

  • Molecular FormulaC33H31N3O4
  • Average mass533.617 Da
  • Monoisotopic mass533.231445 Da
  • ChemSpider ID167461

More details:

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

2-{[(4-Butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)(phenyl)methyl]amino}benzoesäure [German] [ACD/IUPAC Name]
2-{[(4-Butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)(phenyl)methyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 2-{[(4-butyl-3,5-dioxo-1,2-diphényl-4-pyrazolidinyl)(phényl)méthyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(4-butyl-3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)phenylmethyl]amino]- [ACD/Index Name]
1,2-Diphenyl-4H-butyl-(4-orthocarboxyanilinobenzyl)-3,5-pyrazolidinedione
19854-90-1 [RN]
2-{[(4-BUTYL-3,5-DIOXO-1,2-DIPHENYLPYRAZOLIDIN-4-YL)(PHENYL)METHYL]AMINO}BENZOIC ACID
22794-26-9 [RN]
Anthradion
Antradion
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 685.3±61.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 368.3±33.2 °C
Index of Refraction: 1.660
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 761.84
ACD/KOC (pH 5.5): 1467.79
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 28.34
ACD/KOC (pH 7.4): 54.61
Polar Surface Area: 90 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 416.6±3.0 cm3

Click to predict properties on the Chemicalize site


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