ChemSpider 2D Image | Azasetron | C17H20ClN3O3

Azasetron

  • Molecular FormulaC17H20ClN3O3
  • Average mass349.812 Da
  • Monoisotopic mass349.119324 Da
  • ChemSpider ID32797613

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Azasetron [INN] [Wiki]
2025360-90-9 [RN]
2H-1,4-Benzoxazine-8-carboxamide, N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-6-chloro-3,4-dihydro-4-methyl-3-oxo- [ACD/Index Name]
arazasetron [INN]
arazasetrón [Spanish] [INN]
arazasétron [French] [INN]
arazasetronum [Latin] [INN]
N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-6-chlor-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-carboxamid [German] [ACD/IUPAC Name]
N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide [ACD/IUPAC Name]
N-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-6-chloro-4-méthyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide [French] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

61JC7L0Q4O [DBID]
UNII-77HC7URR9Z [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 558.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.2±30.1 °C
Index of Refraction: 1.650
Molar Refractivity: 89.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 62 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 245.9±5.0 cm3

Click to predict properties on the Chemicalize site


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