ChemSpider 2D Image | 4-[(2-Oxo-1,3-oxazolidin-3-yl)acetyl]-6-(3-pyridinylmethoxy)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1,4-diazepan-2-one | C22H30N4O6

4-[(2-Oxo-1,3-oxazolidin-3-yl)acetyl]-6-(3-pyridinylmethoxy)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1,4-diazepan-2-one

  • Molecular FormulaC22H30N4O6
  • Average mass446.497 Da
  • Monoisotopic mass446.216522 Da
  • ChemSpider ID22180328

More details:

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

2H-1,4-Diazepin-2-one, hexahydro-4-[2-(2-oxo-3-oxazolidinyl)acetyl]-6-(3-pyridinylmethoxy)-1-[(tetrahydro-2H-pyran-4-yl)methyl]- [ACD/Index Name]
4-[(2-Oxo-1,3-oxazolidin-3-yl)acetyl]-6-(3-pyridinylmethoxy)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1,4-diazepan-2-on [German] [ACD/IUPAC Name]
4-[(2-Oxo-1,3-oxazolidin-3-yl)acetyl]-6-(3-pyridinylmethoxy)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1,4-diazepan-2-one [ACD/IUPAC Name]
4-[2-(2-Oxo-1,3-oxazolidin-3-yl)acétyl]-6-(3-pyridinylméthoxy)-1-(tétrahydro-2H-pyran-4-ylméthyl)-1,4-diazépan-2-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 749.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.3±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 114.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.44
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.51
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.75
Polar Surface Area: 102 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 333.5±5.0 cm3

Click to predict properties on the Chemicalize site


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