ChemSpider 2D Image | 3-[({4-[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbonyl]-2-morpholinyl}methyl)amino]-1-methyl-2(1H)-pyrazinone | C18H21BN4O5

3-[({4-[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbonyl]-2-morpholinyl}methyl)amino]-1-methyl-2(1H)-pyrazinone

  • Molecular FormulaC18H21BN4O5
  • Average mass384.194 Da
  • Monoisotopic mass384.160492 Da
  • ChemSpider ID72907332

More details:

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

2(1H)-Pyrazinone, 3-[[[4-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)carbonyl]-2-morpholinyl]methyl]amino]-1-methyl- [ACD/Index Name]
3-[({4-[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbonyl]-2-morpholinyl}methyl)amino]-1-methyl-2(1H)-pyrazinon [German] [ACD/IUPAC Name]
3-[({4-[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbonyl]-2-morpholinyl}methyl)amino]-1-methyl-2(1H)-pyrazinone [ACD/IUPAC Name]
3-[({4-[(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbonyl]-2-morpholinyl}méthyl)amino]-1-méthyl-2(1H)-pyrazinone [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: 621.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 329.5±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 99.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 104 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 268.1±7.0 cm3

Click to predict properties on the Chemicalize site


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