ChemSpider 2D Image | (2S,3S)-4-(Dimethylamino)-3-(4'-fluoro-4-biphenylyl)-1,4-dioxo-1-(1-pyrrolidinyl)-2-butanaminium | C22H27FN3O2

(2S,3S)-4-(Dimethylamino)-3-(4'-fluoro-4-biphenylyl)-1,4-dioxo-1-(1-pyrrolidinyl)-2-butanaminium

  • Molecular FormulaC22H27FN3O2
  • Average mass384.466 Da
  • Monoisotopic mass384.208191 Da
  • ChemSpider ID34450517

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-4-(Dimethylamino)-3-(4'-fluor-4-biphenylyl)-1,4-dioxo-1-(1-pyrrolidinyl)-2-butanaminium [German] [ACD/IUPAC Name]
(2S,3S)-4-(Dimethylamino)-3-(4'-fluoro-4-biphenylyl)-1,4-dioxo-1-(1-pyrrolidinyl)-2-butanaminium [ACD/IUPAC Name]
(2S,3S)-4-(Diméthylamino)-3-(4'-fluoro-4-biphénylyl)-1,4-dioxo-1-(1-pyrrolidinyl)-2-butanaminium [French] [ACD/IUPAC Name]
1-Pyrrolidinebutanamide, β-amino-α-(4'-fluoro[1,1'-biphenyl]-4-yl)-N,N-dimethyl-γ-oxo-, conjugate monoacid, (αS,βS)- [ACD/Index Name]

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

Density:
Boiling Point: 589.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.3±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 18.12
ACD/KOC (pH 5.5): 236.95
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.02
ACD/KOC (pH 7.4): 405.70
Polar Surface Area: 68 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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