ChemSpider 2D Image | 3-{4-Oxo-4-[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]butyl}-1,3-benzoxazol-2(3H)-one | C22H23N7O3

3-{4-Oxo-4-[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]butyl}-1,3-benzoxazol-2(3H)-one

  • Molecular FormulaC22H23N7O3
  • Average mass433.463 Da
  • Monoisotopic mass433.186249 Da
  • ChemSpider ID29977569

More details:

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

2(3H)-Benzoxazolone, 3-[4-oxo-4-[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]butyl]- [ACD/Index Name]
3-{4-Oxo-4-[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]butyl}-1,3-benzoxazol-2(3H)-on [German] [ACD/IUPAC Name]
3-{4-Oxo-4-[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]butyl}-1,3-benzoxazol-2(3H)-one [ACD/IUPAC Name]
3-{4-Oxo-4-[4-(1-phényl-1H-tétrazol-5-yl)-1-pipérazinyl]butyl}-1,3-benzoxazol-2(3H)-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: 680.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.2±34.3 °C
Index of Refraction: 1.719
Molar Refractivity: 119.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 21.86
ACD/KOC (pH 5.5): 316.67
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.87
ACD/KOC (pH 7.4): 316.68
Polar Surface Area: 97 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 302.2±7.0 cm3

Click to predict properties on the Chemicalize site


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