ChemSpider 2D Image | Methyl 3-methyl-7-oxo-6-{[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methyl}-6,7-dihydro[1,2]oxazolo[3,4-d]pyridazine-4-carboxylate | C20H21N9O4

Methyl 3-methyl-7-oxo-6-{[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methyl}-6,7-dihydro[1,2]oxazolo[3,4-d]pyridazine-4-carboxylate

  • Molecular FormulaC20H21N9O4
  • Average mass451.439 Da
  • Monoisotopic mass451.171661 Da
  • ChemSpider ID115074700

More details:

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

3-Méthyl-7-oxo-6-{[4-(1-phényl-1H-tétrazol-5-yl)-1-pipérazinyl]méthyl}-6,7-dihydro[1,2]oxazolo[3,4-d]pyridazine-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Isoxazolo[3,4-d]pyridazine-4-carboxylic acid, 6,7-dihydro-3-methyl-7-oxo-6-[[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methyl]-, methyl ester [ACD/Index Name]
Methyl 3-methyl-7-oxo-6-{[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methyl}-6,7-dihydro[1,2]oxazolo[3,4-d]pyridazine-4-carboxylate [ACD/IUPAC Name]
Methyl-3-methyl-7-oxo-6-{[4-(1-phenyl-1H-tetrazol-5-yl)-1-piperazinyl]methyl}-6,7-dihydro[1,2]oxazolo[3,4-d]pyridazin-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 676.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 363.0±34.3 °C
Index of Refraction: 1.762
Molar Refractivity: 117.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.03
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.44
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 30.24
Polar Surface Area: 135 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 70.2±7.0 dyne/cm
Molar Volume: 284.2±7.0 cm3

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