ChemSpider 2D Image | 1-Cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}-2-butanyl]-6-oxo-5-(2-oxo-1-pyrrolidinyl)-1,6-dihydro-3-pyridinecarboxamide | C33H37F3N4O4

1-Cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}-2-butanyl]-6-oxo-5-(2-oxo-1-pyrrolidinyl)-1,6-dihydro-3-pyridinecarboxamide

  • Molecular FormulaC33H37F3N4O4
  • Average mass610.667 Da
  • Monoisotopic mass610.276672 Da
  • ChemSpider ID30822322

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluormethyl)benzyl]amino}-2-butanyl]-6-oxo-5-(2-oxo-1-pyrrolidinyl)-1,6-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
1-Cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-{[3-(trifluoromethyl)benzyl]amino}-2-butanyl]-6-oxo-5-(2-oxo-1-pyrrolidinyl)-1,6-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
1-Cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phényl-4-{[3-(trifluorométhyl)benzyl]amino}-2-butanyl]-6-oxo-5-(2-oxo-1-pyrrolidinyl)-1,6-dihydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]
1-Cyclopentyl-N-[(2s,3r)-3-Hydroxy-1-Phenyl-4-{[3-(Trifluoromethyl)benzyl]amino}butan-2-Yl]-6-Oxo-5-(2-Oxopyrrolidin-1-Yl)-1,6-Dihydropyridine-3-Carboxamide
3-Pyridinecarboxamide, 1-cyclopentyl-1,6-dihydro-N-[(1S,2R)-2-hydroxy-1-(phenylmethyl)-3-[[[3-(trifluoromethyl)phenyl]methyl]amino]propyl]-6-oxo-5-(2-oxo-1-pyrrolidinyl)- [ACD/Index Name]
1QU

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

Density: 1.3±0.1 g/cm3
Boiling Point: 822.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 451.0±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 157.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.27
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 26.19
ACD/KOC (pH 7.4): 215.81
Polar Surface Area: 102 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 457.0±3.0 cm3

Click to predict properties on the Chemicalize site


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