ChemSpider 2D Image | 4-[3-Ethoxy-4-(3-methylbutoxy)phenyl]-3-(4-methoxyphenyl)-1-methyl-5-(2-phenylethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one | C34H39N3O4

4-[3-Ethoxy-4-(3-methylbutoxy)phenyl]-3-(4-methoxyphenyl)-1-methyl-5-(2-phenylethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one

  • Molecular FormulaC34H39N3O4
  • Average mass553.691 Da
  • Monoisotopic mass553.294067 Da
  • ChemSpider ID21848165

More details:

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

4-[3-Ethoxy-4-(3-methylbutoxy)phenyl]-3-(4-methoxyphenyl)-1-methyl-5-(2-phenylethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-on [German] [ACD/IUPAC Name]
4-[3-Ethoxy-4-(3-methylbutoxy)phenyl]-3-(4-methoxyphenyl)-1-methyl-5-(2-phenylethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [ACD/IUPAC Name]
4-[3-Éthoxy-4-(3-méthylbutoxy)phényl]-3-(4-méthoxyphényl)-1-méthyl-5-(2-phényléthyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazol-6(1H)-one, 4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4,5-dihydro-3-(4-methoxyphenyl)-1-methyl-5-(2-phenylethyl)- [ACD/Index Name]
1018044-91-1 [RN]
4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-(4-methoxyphenyl)-1-methyl-5-(2-phenylethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-(4-methoxyphenyl)-1-methyl-5-(2-phenylethyl)-3-pyrrolino[3,4-d]pyrazol-6-one
4-[3-ethoxy-4-(3-methylbutoxy)phenyl]-3-(4-methoxyphenyl)-1-methyl-5-(2-phenylethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 694.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.1±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 161.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13805.58
ACD/KOC (pH 5.5): 31991.80
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13805.64
ACD/KOC (pH 7.4): 31991.95
Polar Surface Area: 66 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 41.6±7.0 dyne/cm
Molar Volume: 475.1±7.0 cm3

Click to predict properties on the Chemicalize site


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