ChemSpider 2D Image | (2R,3R)-4-[(2R)-2-{2-[(2-Fluorophenyl)amino]-1,3-thiazol-4-yl}-1-pyrrolidinyl]-2,3-dihydroxy-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide | C28H29FN6O4S

(2R,3R)-4-[(2R)-2-{2-[(2-Fluorophenyl)amino]-1,3-thiazol-4-yl}-1-pyrrolidinyl]-2,3-dihydroxy-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide

  • Molecular FormulaC28H29FN6O4S
  • Average mass564.631 Da
  • Monoisotopic mass564.195496 Da
  • ChemSpider ID26340118

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3R)-4-[(2R)-2-{2-[(2-Fluorophenyl)amino]-1,3-thiazol-4-yl}-1-pyrrolidinyl]-2,3-dihydroxy-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamide [ACD/IUPAC Name]
(2R,3R)-4-[(2R)-2-{2-[(2-Fluorophényl)amino]-1,3-thiazol-4-yl}-1-pyrrolidinyl]-2,3-dihydroxy-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phényl]éthyl}butanamide [French] [ACD/IUPAC Name]
(2R,3R)-4-[(2R)-2-{2-[(2-Fluorphenyl)amino]-1,3-thiazol-4-yl}-1-pyrrolidinyl]-2,3-dihydroxy-4-oxo-N-{(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl}butanamid [German] [ACD/IUPAC Name]
1-Pyrrolidinebutanamide, 2-[2-[(2-fluorophenyl)amino]-4-thiazolyl]-α,β-dihydroxy-γ-oxo-N-[(1R)-1-[4-(1H-pyrazol-1-yl)phenyl]ethyl]-, (αR,βR,2R)- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 149.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.02
ACD/KOC (pH 5.5): 537.99
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.46
ACD/KOC (pH 7.4): 543.12
Polar Surface Area: 161 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 386.1±7.0 cm3

Click to predict properties on the Chemicalize site


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