ChemSpider 2D Image | 1-[4-({5-[(2,6-Difluorophenoxy)methyl]-1,2-oxazol-3-yl}carbonyl)-1,4-diazepan-1-yl]ethanone | C18H19F2N3O4

1-[4-({5-[(2,6-Difluorophenoxy)methyl]-1,2-oxazol-3-yl}carbonyl)-1,4-diazepan-1-yl]ethanone

  • Molecular FormulaC18H19F2N3O4
  • Average mass379.358 Da
  • Monoisotopic mass379.134369 Da
  • ChemSpider ID22183458

More details:

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

1-[4-({5-[(2,6-Difluorophenoxy)methyl]-1,2-oxazol-3-yl}carbonyl)-1,4-diazepan-1-yl]ethanone [ACD/IUPAC Name]
1-[4-({5-[(2,6-Difluorophénoxy)méthyl]-1,2-oxazol-3-yl}carbonyl)-1,4-diazépan-1-yl]éthanone [French] [ACD/IUPAC Name]
1-[4-({5-[(2,6-Difluorphenoxy)methyl]-1,2-oxazol-3-yl}carbonyl)-1,4-diazepan-1-yl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[4-[[5-[(2,6-difluorophenoxy)methyl]-3-isoxazolyl]carbonyl]hexahydro-1H-1,4-diazepin-1-yl]- [ACD/Index Name]
1-acetyl-4-({5-[(2,6-difluorophenoxy)methyl]-3-isoxazolyl}carbonyl)-1,4-diazepane

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

Density: 1.3±0.1 g/cm3
Boiling Point: 606.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.4±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 90.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 57.10
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 2.00
ACD/KOC (pH 7.4): 57.10
Polar Surface Area: 76 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 283.7±3.0 cm3

Click to predict properties on the Chemicalize site


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