Found 23 results

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

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

  • Molecular FormulaC28H34F2N4O4
  • Average mass528.591 Da
  • Monoisotopic mass528.254822 Da
  • ChemSpider ID9389753

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

3-Pyrrolidinecarboxamide, N-[(2S)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-2-[(2S)-3-oxo-4-(phenylmethyl)-2-piperazinyl]ethyl]-5-oxo-1-propyl- [ACD/Index Name]
N-[(1S)-1-[(2S)-4-Benzyl-3-oxo-2-piperazinyl]-3-(3,5-difluorophenyl)-1-hydroxy-2-propanyl]-5-oxo-1-propyl-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-[(1S)-1-[(2S)-4-Benzyl-3-oxo-2-pipérazinyl]-3-(3,5-difluorophényl)-1-hydroxy-2-propanyl]-5-oxo-1-propyl-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
N-[(1S)-1-[(2S)-4-Benzyl-3-oxo-2-piperazinyl]-3-(3,5-difluorphenyl)-1-hydroxy-2-propanyl]-5-oxo-1-propyl-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 801.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.2±3.0 kJ/mol
Flash Point: 438.7±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 7.31
ACD/KOC (pH 5.5): 95.51
ACD/LogD (pH 7.4): 2.25
ACD/BCF (pH 7.4): 30.12
ACD/KOC (pH 7.4): 393.68
Polar Surface Area: 102 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 412.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement