ChemSpider 2D Image | (2R,3S)-2-Isobutyl-N~4~-methoxy-N~1~-[(3S)-2-oxo-1-(3-phenoxybenzyl)-3-azepanyl]-3-propylsuccinamide | C31H43N3O5

(2R,3S)-2-Isobutyl-N4-methoxy-N1-[(3S)-2-oxo-1-(3-phenoxybenzyl)-3-azepanyl]-3-propylsuccinamide

  • Molecular FormulaC31H43N3O5
  • Average mass537.690 Da
  • Monoisotopic mass537.320251 Da
  • ChemSpider ID7983004

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3S)-2-Isobutyl-N4-methoxy-N1-[(3S)-2-oxo-1-(3-phenoxybenzyl)-3-azepanyl]-3-propylsuccinamid [German] [ACD/IUPAC Name]
(2R,3S)-2-Isobutyl-N4-methoxy-N1-[(3S)-2-oxo-1-(3-phenoxybenzyl)-3-azepanyl]-3-propylsuccinamide [ACD/IUPAC Name]
(2R,3S)-2-Isobutyl-N4-méthoxy-N1-[(3S)-2-oxo-1-(3-phénoxybenzyl)-3-azépanyl]-3-propylsuccinamide [French] [ACD/IUPAC Name]
(2R,3S)-N4-methoxy-2-(2-methylpropyl)-N1-[(3S)-2-oxo-1-(3-phenoxybenzyl)azepan-3-yl]-3-propylbutanediamide
Butanediamide, N1-[(3S)-hexahydro-2-oxo-1-[(3-phenoxyphenyl)methyl]-1H-azepin-3-yl]-N4-methoxy-2-(2-methylpropyl)-3-propyl-, (2R,3S)- [ACD/Index Name]
(2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-yl)-2-isobutyl-N4-methoxy-3-propylsuccinamide

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: 1.568
Molar Refractivity: 152.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1619.65
ACD/KOC (pH 5.5): 6900.84
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1619.65
ACD/KOC (pH 7.4): 6900.84
Polar Surface Area: 97 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 465.8±5.0 cm3

Click to predict properties on the Chemicalize site


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