ChemSpider 2D Image | 1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-{[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine | C21H23N5O7S

1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-{[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine

  • Molecular FormulaC21H23N5O7S
  • Average mass489.502 Da
  • Monoisotopic mass489.131805 Da
  • ChemSpider ID30507400

More details:

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

1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-{[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin [German] [ACD/IUPAC Name]
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-{[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine [ACD/IUPAC Name]
1-[(3,4-Diméthoxyphényl)sulfonyl]-4-{[3-(4-nitrophényl)-1,2,4-oxadiazol-5-yl]méthyl}pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[(3,4-dimethoxyphenyl)sulfonyl]-4-[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]- [ACD/Index 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: 674.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 361.6±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 120.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 181.48
ACD/KOC (pH 5.5): 1438.23
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.44
ACD/KOC (pH 7.4): 1445.79
Polar Surface Area: 152 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 348.5±3.0 cm3

Click to predict properties on the Chemicalize site


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