ChemSpider 2D Image | (3aS,6aR)-5-[(1-Methyl-6-oxo-1,6-dihydro-3-pyridazinyl)carbonyl]-3-[3-(4-morpholinyl)propyl]hexahydro-2H-pyrrolo[3,4-d][1,3]oxazol-2-one | C18H25N5O5

(3aS,6aR)-5-[(1-Methyl-6-oxo-1,6-dihydro-3-pyridazinyl)carbonyl]-3-[3-(4-morpholinyl)propyl]hexahydro-2H-pyrrolo[3,4-d][1,3]oxazol-2-one

  • Molecular FormulaC18H25N5O5
  • Average mass391.422 Da
  • Monoisotopic mass391.185577 Da
  • ChemSpider ID29556825

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,6aR)-5-[(1-Methyl-6-oxo-1,6-dihydro-3-pyridazinyl)carbonyl]-3-[3-(4-morpholinyl)propyl]hexahydro-2H-pyrrolo[3,4-d][1,3]oxazol-2-on [German] [ACD/IUPAC Name]
(3aS,6aR)-5-[(1-Methyl-6-oxo-1,6-dihydro-3-pyridazinyl)carbonyl]-3-[3-(4-morpholinyl)propyl]hexahydro-2H-pyrrolo[3,4-d][1,3]oxazol-2-one [ACD/IUPAC Name]
(3aS,6aR)-5-[(1-Méthyl-6-oxo-1,6-dihydro-3-pyridazinyl)carbonyl]-3-[3-(4-morpholinyl)propyl]hexahydro-2H-pyrrolo[3,4-d][1,3]oxazol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrolo[3,4-d]oxazol-2-one, 5-[(1,6-dihydro-1-methyl-6-oxo-3-pyridazinyl)carbonyl]hexahydro-3-[3-(4-morpholinyl)propyl]-, (3aS,6aR)- [ACD/Index Name]
(3aS*,6aR*)-5-[(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)carbonyl]-3-(3-morpholin-4-ylpropyl)hexahydro-2H-pyrrolo[3,4-d][1,3]oxazol-2-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 624.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.5±34.3 °C
Index of Refraction: 1.690
Molar Refractivity: 99.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.70
ACD/LogD (pH 5.5): -3.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.83
Polar Surface Area: 95 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 63.6±7.0 dyne/cm
Molar Volume: 260.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement