Found 126 results

Search term: C21H26FN3O6S (Found by molecular formula)
ChemSpider 2D Image | N-[(3R,4S)-9-{[3-(2-Fluorophenyl)-1,2-oxazol-5-yl]carbonyl}-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undec-4-yl]methanesulfonamide | C21H26FN3O6S

N-[(3R,4S)-9-{[3-(2-Fluorophenyl)-1,2-oxazol-5-yl]carbonyl}-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undec-4-yl]methanesulfonamide

  • Molecular FormulaC21H26FN3O6S
  • Average mass467.511 Da
  • Monoisotopic mass467.152649 Da
  • ChemSpider ID68650017

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Methanesulfonamide, N-[(3R,4S)-9-[[3-(2-fluorophenyl)-5-isoxazolyl]carbonyl]-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undec-4-yl]- [ACD/Index Name]
N-[(3R,4S)-9-{[3-(2-Fluorophenyl)-1,2-oxazol-5-yl]carbonyl}-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undec-4-yl]methanesulfonamide [ACD/IUPAC Name]
N-[(3R,4S)-9-{[3-(2-Fluorophényl)-1,2-oxazol-5-yl]carbonyl}-3-hydroxy-3-méthyl-1-oxa-9-azaspiro[5.5]undéc-4-yl]méthanesulfonamide [French] [ACD/IUPAC Name]
N-[(3R,4S)-9-{[3-(2-Fluorphenyl)-1,2-oxazol-5-yl]carbonyl}-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undec-4-yl]methansulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 703.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 379.2±35.7 °C
Index of Refraction: 1.619
Molar Refractivity: 113.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.62
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.20
ACD/KOC (pH 5.5): 80.00
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.19
ACD/KOC (pH 7.4): 79.80
Polar Surface Area: 130 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 322.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement