ChemSpider 2D Image | 1-{4-[(5-Chloro-2-thienyl)sulfonyl]-1-piperazinyl}-2-(5-methyl-1H-tetrazol-1-yl)-3-phenyl-2-propen-1-one | C19H19ClN6O3S2

1-{4-[(5-Chloro-2-thienyl)sulfonyl]-1-piperazinyl}-2-(5-methyl-1H-tetrazol-1-yl)-3-phenyl-2-propen-1-one

  • Molecular FormulaC19H19ClN6O3S2
  • Average mass478.976 Da
  • Monoisotopic mass478.064850 Da
  • ChemSpider ID35305474

More details:

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

1-{4-[(5-Chlor-2-thienyl)sulfonyl]-1-piperazinyl}-2-(5-methyl-1H-tetrazol-1-yl)-3-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
1-{4-[(5-Chloro-2-thienyl)sulfonyl]-1-piperazinyl}-2-(5-methyl-1H-tetrazol-1-yl)-3-phenyl-2-propen-1-one [ACD/IUPAC Name]
1-{4-[(5-Chloro-2-thiényl)sulfonyl]-1-pipérazinyl}-2-(5-méthyl-1H-tétrazol-1-yl)-3-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[4-[(5-chloro-2-thienyl)sulfonyl]-1-piperazinyl]-2-(5-methyl-1H-tetrazol-1-yl)-3-phenyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 741.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 402.0±35.7 °C
Index of Refraction: 1.727
Molar Refractivity: 123.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 33.08
ACD/KOC (pH 5.5): 425.86
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 33.08
ACD/KOC (pH 7.4): 425.87
Polar Surface Area: 138 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 66.3±7.0 dyne/cm
Molar Volume: 311.2±7.0 cm3

Click to predict properties on the Chemicalize site


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