ChemSpider 2D Image | 1-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-2-[5-(phenoxymethyl)-2H-tetrazol-2-yl]ethanone | C19H23N7O5S

1-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-2-[5-(phenoxymethyl)-2H-tetrazol-2-yl]ethanone

  • Molecular FormulaC19H23N7O5S
  • Average mass461.495 Da
  • Monoisotopic mass461.148132 Da
  • ChemSpider ID22366977

More details:

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

1-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-2-[5-(phenoxymethyl)-2H-tetrazol-2-yl]ethanon [German] [ACD/IUPAC Name]
1-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-2-[5-(phenoxymethyl)-2H-tetrazol-2-yl]ethanone [ACD/IUPAC Name]
1-{4-[(3,5-Diméthyl-1,2-oxazol-4-yl)sulfonyl]-1-pipérazinyl}-2-[5-(phénoxyméthyl)-2H-tétrazol-2-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-2-[5-(phenoxymethyl)-2H-tetrazol-2-yl]- [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: 744.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 403.9±35.7 °C
Index of Refraction: 1.696
Molar Refractivity: 117.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 64.81
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 64.81
Polar Surface Area: 145 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 64.0±7.0 dyne/cm
Molar Volume: 304.2±7.0 cm3

Click to predict properties on the Chemicalize site


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