ChemSpider 2D Image | (2R,3S)-N~4~-Hydroxy-2-isobutyl-N~1~-{(3S)-1-[(4'-methoxy-3-biphenylyl)methyl]-2-oxo-3-azepanyl}-3-propylsuccinamide | C31H43N3O5

(2R,3S)-N4-Hydroxy-2-isobutyl-N1-{(3S)-1-[(4'-methoxy-3-biphenylyl)methyl]-2-oxo-3-azepanyl}-3-propylsuccinamide

  • Molecular FormulaC31H43N3O5
  • Average mass537.690 Da
  • Monoisotopic mass537.320251 Da
  • ChemSpider ID8069081

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3S)-N4-Hydroxy-2-isobutyl-N1-{(3S)-1-[(4'-methoxy-3-biphenylyl)methyl]-2-oxo-3-azepanyl}-3-propylsuccinamid [German] [ACD/IUPAC Name]
(2R,3S)-N4-Hydroxy-2-isobutyl-N1-{(3S)-1-[(4'-methoxy-3-biphenylyl)methyl]-2-oxo-3-azepanyl}-3-propylsuccinamide [ACD/IUPAC Name]
(2R,3S)-N4-Hydroxy-2-isobutyl-N1-{(3S)-1-[(4'-méthoxy-3-biphénylyl)méthyl]-2-oxo-3-azépanyl}-3-propylsuccinamide [French] [ACD/IUPAC Name]
(2R,3S)-N4-hydroxy-N1-{(3S)-1-[(4'-methoxybiphenyl-3-yl)methyl]-2-oxoazepan-3-yl}-2-(2-methylpropyl)-3-propylbutanediamide
Butanediamide, N1-[(3S)-hexahydro-1-[(4'-methoxy[1,1'-biphenyl]-3-yl)methyl]-2-oxo-1H-azepin-3-yl]-N4-hydroxy-2-(2-methylpropyl)-3-propyl-, (2R,3S)- [ACD/Index Name]
(2S,3R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-1-(4'-methoxy-biphenyl-3-ylmethyl)-2-oxo-azepan-3-yl]-3-propyl-succinamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL425774/

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 152.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 351.78
ACD/KOC (pH 5.5): 2313.19
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 348.21
ACD/KOC (pH 7.4): 2289.73
Polar Surface Area: 108 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 456.6±5.0 cm3

Click to predict properties on the Chemicalize site


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