ChemSpider 2D Image | 2-[(2S)-2-Butanylamino]-N-{(1R,2S)-1-[(2R,4S)-4-fluoro-2-pyrrolidinyl]-1-hydroxy-3-phenyl-2-propanyl}-6-[methyl(methylsulfonyl)amino]isonicotinamide | C25H36FN5O4S

2-[(2S)-2-Butanylamino]-N-{(1R,2S)-1-[(2R,4S)-4-fluoro-2-pyrrolidinyl]-1-hydroxy-3-phenyl-2-propanyl}-6-[methyl(methylsulfonyl)amino]isonicotinamide

  • Molecular FormulaC25H36FN5O4S
  • Average mass521.648 Da
  • Monoisotopic mass521.247192 Da
  • ChemSpider ID9745430

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-[(2S)-2-Butanylamino]-N-{(1R,2S)-1-[(2R,4S)-4-fluor-2-pyrrolidinyl]-1-hydroxy-3-phenyl-2-propanyl}-6-[methyl(methylsulfonyl)amino]isonicotinamid [German] [ACD/IUPAC Name]
2-[(2S)-2-Butanylamino]-N-{(1R,2S)-1-[(2R,4S)-4-fluoro-2-pyrrolidinyl]-1-hydroxy-3-phenyl-2-propanyl}-6-[methyl(methylsulfonyl)amino]isonicotinamide [ACD/IUPAC Name]
2-[(2S)-2-Butanylamino]-N-{(1R,2S)-1-[(2R,4S)-4-fluoro-2-pyrrolidinyl]-1-hydroxy-3-phényl-2-propanyl}-6-[méthyl(méthylsulfonyl)amino]isonicotinamide [French] [ACD/IUPAC Name]
4-Pyridinecarboxamide, N-[(1S,2R)-2-[(2R,4S)-4-fluoro-2-pyrrolidinyl]-2-hydroxy-1-(phenylmethyl)ethyl]-2-[methyl(methylsulfonyl)amino]-6-[[(1S)-1-methylpropyl]amino]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.600
Molar Refractivity: 137.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.90
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 2.70
ACD/KOC (pH 7.4): 30.84
Polar Surface Area: 132 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 401.4±5.0 cm3

Click to predict properties on the Chemicalize site


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