ChemSpider 2D Image | 3-{5-[(2R)-2-Amino-1-phenyl-2-propanyl]-1,3,4-oxadiazol-2-yl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide | C28H30FN5O4S

3-{5-[(2R)-2-Amino-1-phenyl-2-propanyl]-1,3,4-oxadiazol-2-yl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide

  • Molecular FormulaC28H30FN5O4S
  • Average mass551.632 Da
  • Monoisotopic mass551.200256 Da
  • ChemSpider ID9867200

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-{5-[(1r)-1-Amino-1-Methyl-2-Phenylethyl]-1,3,4-Oxadiazol-2-Yl}-N-[(1r)-1-(4-Fluorophenyl)ethyl]-5-[methyl(Methylsulfonyl)amino]benzamide
3-{5-[(2R)-2-Amino-1-phenyl-2-propanyl]-1,3,4-oxadiazol-2-yl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide [ACD/IUPAC Name]
3-{5-[(2R)-2-Amino-1-phényl-2-propanyl]-1,3,4-oxadiazol-2-yl}-N-[(1R)-1-(4-fluorophényl)éthyl]-5-[méthyl(méthylsulfonyl)amino]benzamide [French] [ACD/IUPAC Name]
3-{5-[(2R)-2-Amino-1-phenyl-2-propanyl]-1,3,4-oxadiazol-2-yl}-N-[(1R)-1-(4-fluorphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamid [German] [ACD/IUPAC Name]
Benzamide, 3-[5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]- [ACD/Index Name]
I02
L-001233771

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 16.66
ACD/KOC (pH 5.5): 167.66
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 75.15
ACD/KOC (pH 7.4): 756.40
Polar Surface Area: 140 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 420.1±3.0 cm3

Click to predict properties on the Chemicalize site


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