ChemSpider 2D Image | (3S)-2-{(2R)-2-[2-(Hydroxyamino)-2-oxoethyl]heptanoyl}-N-[(3R,4R)-3-methyl-5-oxo-4-heptanyl]hexahydro-3-pyridazinecarboxamide | C22H40N4O5

(3S)-2-{(2R)-2-[2-(Hydroxyamino)-2-oxoethyl]heptanoyl}-N-[(3R,4R)-3-methyl-5-oxo-4-heptanyl]hexahydro-3-pyridazinecarboxamide

  • Molecular FormulaC22H40N4O5
  • Average mass440.577 Da
  • Monoisotopic mass440.299866 Da
  • ChemSpider ID23189420
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(3S)-2-{(2R)-2-[2-(Hydroxyamino)-2-oxoethyl]heptanoyl}-N-[(3R,4R)-3-methyl-5-oxo-4-heptanyl]hexahydro-3-pyridazincarboxamid [German] [ACD/IUPAC Name]
(3S)-2-{(2R)-2-[2-(Hydroxyamino)-2-oxoethyl]heptanoyl}-N-[(3R,4R)-3-methyl-5-oxo-4-heptanyl]hexahydro-3-pyridazinecarboxamide [ACD/IUPAC Name]
(3S)-2-{(2R)-2-[2-(Hydroxyamino)-2-oxoéthyl]heptanoyl}-N-[(3R,4R)-3-méthyl-5-oxo-4-heptanyl]hexahydro-3-pyridazinecarboxamide [French] [ACD/IUPAC Name]
1(2H)-Pyridazinebutanamide, tetrahydro-N-hydroxy-6-[[[(1R,2R)-2-methyl-1-(1-oxopropyl)butyl]amino]carbonyl]-γ-oxo-β-pentyl-, (βR,6S)- [ACD/Index Name]
(S)-2-((R)-2-Hydroxycarbamoylmethyl-heptanoyl)-hexahydro-pyridazine-3-carboxylic acid ((R)-1-sec-butyl-2-oxo-butyl)-amide

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.502
Molar Refractivity: 117.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.26
ACD/KOC (pH 5.5): 143.74
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.16
ACD/KOC (pH 7.4): 141.87
Polar Surface Area: 128 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 397.7±3.0 cm3

Click to predict properties on the Chemicalize site






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