ChemSpider 2D Image | 4-[3-({[1-(4-Hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C26H25N7O3S

4-[3-({[1-(4-Hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC26H25N7O3S
  • Average mass515.587 Da
  • Monoisotopic mass515.173950 Da
  • ChemSpider ID1576086

More details:

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

3H-Pyrazol-3-one, 1,2-dihydro-4-[3-[2-[[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]thio]acetyl]-2,5-dimethyl-1H-pyrrol-1-yl]-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-[3-({[1-(4-Hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-[3-({[1-(4-Hydroxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-[3-(2-{[1-(4-Hydroxyphényl)-1H-tétrazol-5-yl]sulfanyl}acétyl)-2,5-diméthyl-1H-pyrrol-1-yl]-1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 648.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 346.2±34.3 °C
Index of Refraction: 1.712
Molar Refractivity: 144.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 38.78
ACD/KOC (pH 5.5): 476.64
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 28.39
ACD/KOC (pH 7.4): 348.90
Polar Surface Area: 135 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 368.1±7.0 cm3

Click to predict properties on the Chemicalize site


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