ChemSpider 2D Image | {5-[(1-Hydroxy-7-methyl-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-2-pyrazinyl}[(2S)-2-(hydroxymethyl)-1-piperazinyl]methanone | C18H21BN4O5

{5-[(1-Hydroxy-7-methyl-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-2-pyrazinyl}[(2S)-2-(hydroxymethyl)-1-piperazinyl]methanone

  • Molecular FormulaC18H21BN4O5
  • Average mass384.194 Da
  • Monoisotopic mass384.160492 Da
  • ChemSpider ID76784450

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{5-[(1-Hydroxy-7-methyl-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-2-pyrazinyl}[(2S)-2-(hydroxymethyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
{5-[(1-Hydroxy-7-methyl-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-2-pyrazinyl}[(2S)-2-(hydroxymethyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
{5-[(1-Hydroxy-7-méthyl-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]-2-pyrazinyl}[(2S)-2-(hydroxyméthyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [5-[(1,3-dihydro-1-hydroxy-7-methyl-2,1-benzoxaborol-6-yl)oxy]-2-pyrazinyl][(2S)-2-(hydroxymethyl)-1-piperazinyl]- [ACD/Index 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: 620.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 328.7±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 97.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#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: 117 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 75.7±5.0 dyne/cm
Molar Volume: 267.6±5.0 cm3

Click to predict properties on the Chemicalize site


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