ChemSpider 2D Image | (3S)-4-({5-[(3,4-Difluorophenoxy)methyl]-1,2-oxazol-3-yl}carbonyl)-1-ethyl-3-methyl-2-piperazinone | C18H19F2N3O4

(3S)-4-({5-[(3,4-Difluorophenoxy)methyl]-1,2-oxazol-3-yl}carbonyl)-1-ethyl-3-methyl-2-piperazinone

  • Molecular FormulaC18H19F2N3O4
  • Average mass379.358 Da
  • Monoisotopic mass379.134369 Da
  • ChemSpider ID22859302

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-4-({5-[(3,4-Difluorophenoxy)methyl]-1,2-oxazol-3-yl}carbonyl)-1-ethyl-3-methyl-2-piperazinone [ACD/IUPAC Name]
(3S)-4-({5-[(3,4-Difluorophénoxy)méthyl]-1,2-oxazol-3-yl}carbonyl)-1-éthyl-3-méthyl-2-pipérazinone [French] [ACD/IUPAC Name]
(3S)-4-({5-[(3,4-Difluorphenoxy)methyl]-1,2-oxazol-3-yl}carbonyl)-1-ethyl-3-methyl-2-piperazinon [German] [ACD/IUPAC Name]
2-Piperazinone, 4-[[5-[(3,4-difluorophenoxy)methyl]-3-isoxazolyl]carbonyl]-1-ethyl-3-methyl-, (3S)- [ACD/Index Name]
(3S)-4-({5-[(3,4-difluorophenoxy)methyl]-3-isoxazolyl}carbonyl)-1-ethyl-3-methyl-2-piperazinone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 588.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 309.8±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.04
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.89
ACD/KOC (pH 5.5): 55.00
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.89
ACD/KOC (pH 7.4): 55.00
Polar Surface Area: 76 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 288.8±3.0 cm3

Click to predict properties on the Chemicalize site


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