ChemSpider 2D Image | (2R,3R)-4-[(2R)-2-(3-Chlorophenyl)-1-pyrrolidinyl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-2-thienyl)methyl]butanamide | C28H26ClF3N4O4S

(2R,3R)-4-[(2R)-2-(3-Chlorophenyl)-1-pyrrolidinyl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-2-thienyl)methyl]butanamide

  • Molecular FormulaC28H26ClF3N4O4S
  • Average mass607.044 Da
  • Monoisotopic mass606.131531 Da
  • ChemSpider ID25058399

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R)-4-[(2R)-2-(3-Chlorophenyl)-1-pyrrolidinyl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-2-thienyl)methyl]butanamide [ACD/IUPAC Name]
(2R,3R)-4-[(2R)-2-(3-Chlorophényl)-1-pyrrolidinyl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluorométhyl)-1H-benzimidazol-1-yl]méthyl}-2-thiényl)méthyl]butanamide [French] [ACD/IUPAC Name]
(2r,3r)-4-[(2r)-2-(3-Chlorophenyl)pyrrolidin-1-Yl]-2,3-Dihydroxy-4-Oxo-N-[(5-{[2-(Trifluoromethyl)-1h-Benzimidazol-1-Yl]methyl}thiophen-2-Yl)methyl]butanamide
(2R,3R)-4-[(2R)-2-(3-Chlorphenyl)-1-pyrrolidinyl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluormethyl)-1H-benzimidazol-1-yl]methyl}-2-thienyl)methyl]butanamid [German] [ACD/IUPAC Name]
1-Pyrrolidinebutanamide, 2-(3-chlorophenyl)-α,β-dihydroxy-γ-oxo-N-[[5-[[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl]-2-thienyl]methyl]-, (αR,βR,2R)- [ACD/Index Name]
50X

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

Density: 1.5±0.1 g/cm3
Boiling Point: 841.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.1±3.0 kJ/mol
Flash Point: 462.5±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 148.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 338.33
ACD/KOC (pH 5.5): 2249.00
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 338.64
ACD/KOC (pH 7.4): 2251.02
Polar Surface Area: 136 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 397.9±7.0 cm3

Click to predict properties on the Chemicalize site


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