ChemSpider 2D Image | (6S)-6-{[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]methyl}-6,7-dihydro-1-benzofuran-4(5H)-one | C21H21FN2O3

(6S)-6-{[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]methyl}-6,7-dihydro-1-benzofuran-4(5H)-one

  • Molecular FormulaC21H21FN2O3
  • Average mass368.401 Da
  • Monoisotopic mass368.153625 Da
  • ChemSpider ID25038635

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-6-{[4-(6-Fluor-1,2-benzoxazol-3-yl)-1-piperidinyl]methyl}-6,7-dihydro-1-benzofuran-4(5H)-on [German] [ACD/IUPAC Name]
(6S)-6-{[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]methyl}-6,7-dihydro-1-benzofuran-4(5H)-one [ACD/IUPAC Name]
(6S)-6-{[4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-pipéridinyl]méthyl}-6,7-dihydro-1-benzofuran-4(5H)-one [French] [ACD/IUPAC Name]
4(5H)-Benzofuranone, 6-[[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]methyl]-6,7-dihydro-, (6S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 528.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.5±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.19
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 34.24
ACD/KOC (pH 7.4): 262.66
Polar Surface Area: 59 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 285.2±3.0 cm3

Click to predict properties on the Chemicalize site


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