ChemSpider 2D Image | (2R,3S)-N~4~-Hydroxy-2-isobutyl-N~1~-[(3S)-2-oxo-1-(3-phenoxybenzyl)-3-azepanyl]-3-propylsuccinamide | C30H41N3O5

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

  • Molecular FormulaC30H41N3O5
  • Average mass523.664 Da
  • Monoisotopic mass523.304626 Da
  • ChemSpider ID8025382
  • 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-(2-methylpropyl)-N1-[(3S)-2-oxo-1-(3-phenoxybenzyl)azepan-3-yl]-3-propylbutanediamide
(2R,3S)-N4-Hydroxy-2-isobutyl-N1-[(3S)-2-oxo-1-(3-phenoxybenzyl)-3-azepanyl]-3-propylsuccinamid [German] [ACD/IUPAC Name]
(2R,3S)-N4-Hydroxy-2-isobutyl-N1-[(3S)-2-oxo-1-(3-phenoxybenzyl)-3-azepanyl]-3-propylsuccinamide [ACD/IUPAC Name]
(2R,3S)-N4-Hydroxy-2-isobutyl-N1-[(3S)-2-oxo-1-(3-phénoxybenzyl)-3-azépanyl]-3-propylsuccinamide [French] [ACD/IUPAC Name]
Butanediamide, N1-[(3S)-hexahydro-2-oxo-1-[(3-phenoxyphenyl)methyl]-1H-azepin-3-yl]-N4-hydroxy-2-(2-methylpropyl)-3-propyl-, (2R,3S)- [ACD/Index Name]
(2R,3S)-N1-((S)-1-(3-phenoxybenzyl)-2-oxoazepan-3-yl)-N4-hydroxy-2-isobutyl-3-propylsuccinamide
(2R,3S)-N1-[(3S)-HEXAHYDRO-2-OXO-1-[(3-PHENOXYPHENYL)METHYL]-1H-AZEPIN-3-YL]-N4-HYDROXY-2-(2-METHYLPROPYL)-3-PROPYL-BUTANEDIAMIDE
258870-13-2 [RN]
CHEMBL204357
SR-973

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.583
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 491.84
ACD/KOC (pH 5.5): 2940.33
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 486.85
ACD/KOC (pH 7.4): 2910.51
Polar Surface Area: 108 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 441.0±5.0 cm3

Click to predict properties on the Chemicalize site






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