Found 23 results

Search term: MF = 'C_{28}H_{34}F_{2}N_{4}O_{4}'
ChemSpider 2D Image | N-[(1S,2S)-1-[(4S)-1-Benzyl-5-oxo-4-imidazolidinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-1-butyl-5-oxo-3-pyrrolidinecarboxamide | C28H34F2N4O4

N-[(1S,2S)-1-[(4S)-1-Benzyl-5-oxo-4-imidazolidinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-1-butyl-5-oxo-3-pyrrolidinecarboxamide

  • Molecular FormulaC28H34F2N4O4
  • Average mass528.591 Da
  • Monoisotopic mass528.254822 Da
  • ChemSpider ID24705707

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

3-Pyrrolidinecarboxamide, 1-butyl-N-[(1S,2S)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-2-[(4S)-5-oxo-1-(phenylmethyl)-4-imidazolidinyl]ethyl]-5-oxo- [ACD/Index Name]
N-[(1S,2S)-1-[(4S)-1-Benzyl-5-oxo-4-imidazolidinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-1-butyl-5-oxo-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-[(1S,2S)-1-[(4S)-1-Benzyl-5-oxo-4-imidazolidinyl]-3-(3,5-difluorophényl)-1-hydroxy-2-propanyl]-1-butyl-5-oxo-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
N-[(1S,2S)-1-[(4S)-1-Benzyl-5-oxo-4-imidazolidinyl]-3-(3,5-difluorphenyl)-1-hydroxy-2-propanyl]-1-butyl-5-oxo-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL491265/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 799.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 437.6±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.13
ACD/KOC (pH 5.5): 451.30
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.80
ACD/KOC (pH 7.4): 459.68
Polar Surface Area: 102 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 411.6±3.0 cm3

Click to predict properties on the Chemicalize site


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