ChemSpider 2D Image | 4-(4-Bromophenyl)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one | C26H22BrN3O2

4-(4-Bromophenyl)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one

  • Molecular FormulaC26H22BrN3O2
  • Average mass488.376 Da
  • Monoisotopic mass487.089539 Da
  • ChemSpider ID21848071

More details:

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

4-(4-Bromophenyl)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [ACD/IUPAC Name]
4-(4-Bromophényl)-3-(4-méthoxyphényl)-5-(2-phényléthyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one [French] [ACD/IUPAC Name]
4-(4-Bromphenyl)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-on [German] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrazol-6(1H)-one, 4-(4-bromophenyl)-4,5-dihydro-3-(4-methoxyphenyl)-5-(2-phenylethyl)- [ACD/Index Name]
1018159-86-8 [RN]
4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
4-(4-bromophenyl)-3-(4-methoxyphenyl)-5-(2-phenylethyl)-3-pyrrolino[3,4-d]pyrazol-6-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 682.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.5±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5384.45
ACD/KOC (pH 5.5): 16305.73
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5384.53
ACD/KOC (pH 7.4): 16305.98
Polar Surface Area: 58 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 345.6±3.0 cm3

Click to predict properties on the Chemicalize site


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