ChemSpider 2D Image | [7-(2,5-Difluorophenyl)-1,4-thiazepan-4-yl](5-methyl-1,2-oxazol-3-yl)methanone | C16H16F2N2O2S

[7-(2,5-Difluorophenyl)-1,4-thiazepan-4-yl](5-methyl-1,2-oxazol-3-yl)methanone

  • Molecular FormulaC16H16F2N2O2S
  • Average mass338.372 Da
  • Monoisotopic mass338.090057 Da
  • ChemSpider ID34489578

More details:

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

[7-(2,5-Difluorophenyl)-1,4-thiazepan-4-yl](5-methyl-1,2-oxazol-3-yl)methanone [ACD/IUPAC Name]
[7-(2,5-Difluorophényl)-1,4-thiazépan-4-yl](5-méthyl-1,2-oxazol-3-yl)méthanone [French] [ACD/IUPAC Name]
[7-(2,5-Difluorphenyl)-1,4-thiazepan-4-yl](5-methyl-1,2-oxazol-3-yl)methanon [German] [ACD/IUPAC Name]
Methanone, [7-(2,5-difluorophenyl)tetrahydro-1,4-thiazepin-4(5H)-yl](5-methyl-3-isoxazolyl)- [ACD/Index Name]
(7-(2,5-difluorophenyl)-1,4-thiazepan-4-yl)(5-methylisoxazol-3-yl)methanone
1705353-53-2 [RN]
7-(2,5-difluorophenyl)-4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-thiazepane

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

Density: 1.3±0.1 g/cm3
Boiling Point: 499.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 255.8±28.7 °C
Index of Refraction: 1.569
Molar Refractivity: 84.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.29
ACD/KOC (pH 5.5): 533.35
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.29
ACD/KOC (pH 7.4): 533.35
Polar Surface Area: 72 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 256.6±3.0 cm3

Click to predict properties on the Chemicalize site


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