ChemSpider 2D Image | N-[(2S,3R)-3-Hydroxy-1-phenyl-4-{[(1R)-1-phenylethyl]amino}-2-butanyl]-4-[(4-methyl-1-piperazinyl)carbonyl]benzamide | C31H38N4O3

N-[(2S,3R)-3-Hydroxy-1-phenyl-4-{[(1R)-1-phenylethyl]amino}-2-butanyl]-4-[(4-methyl-1-piperazinyl)carbonyl]benzamide

  • Molecular FormulaC31H38N4O3
  • Average mass514.658 Da
  • Monoisotopic mass514.294373 Da
  • ChemSpider ID29418968

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzamide, N-[(1S,2R)-2-hydroxy-3-[[(1R)-1-phenylethyl]amino]-1-(phenylmethyl)propyl]-4-[(4-methyl-1-piperazinyl)carbonyl]- [ACD/Index Name]
N-[(2S,3R)-3-Hydroxy-1-phenyl-4-{[(1R)-1-phenylethyl]amino}-2-butanyl]-4-[(4-methyl-1-piperazinyl)carbonyl]benzamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-3-Hydroxy-1-phenyl-4-{[(1R)-1-phenylethyl]amino}-2-butanyl]-4-[(4-methyl-1-piperazinyl)carbonyl]benzamide [ACD/IUPAC Name]
N-[(2S,3R)-3-Hydroxy-1-phényl-4-{[(1R)-1-phényléthyl]amino}-2-butanyl]-4-[(4-méthyl-1-pipérazinyl)carbonyl]benzamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 745.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.1±3.0 kJ/mol
Flash Point: 404.8±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 150.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.29
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 13.81
ACD/KOC (pH 7.4): 123.62
Polar Surface Area: 85 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 437.7±3.0 cm3

Click to predict properties on the Chemicalize site


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