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Search term: PKBQPXFVXNPVJM-CQSZACIVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl 4-({5-[(3R)-1-(hydroxyamino)-1-oxo-3-heptanyl]-1,2,4-oxadiazol-3-yl}methyl)benzoate | C18H23N3O5

Methyl 4-({5-[(3R)-1-(hydroxyamino)-1-oxo-3-heptanyl]-1,2,4-oxadiazol-3-yl}methyl)benzoate

  • Molecular FormulaC18H23N3O5
  • Average mass361.392 Da
  • Monoisotopic mass361.163757 Da
  • ChemSpider ID59051619

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-({5-[(3R)-1-(Hydroxyamino)-1-oxo-3-heptanyl]-1,2,4-oxadiazol-3-yl}méthyl)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[5-[(1R)-1-[2-(hydroxyamino)-2-oxoethyl]pentyl]-1,2,4-oxadiazol-3-yl]methyl]-, methyl ester [ACD/Index Name]
Methyl 4-({5-[(3R)-1-(hydroxyamino)-1-oxo-3-heptanyl]-1,2,4-oxadiazol-3-yl}methyl)benzoate [ACD/IUPAC Name]
Methyl-4-({5-[(3R)-1-(hydroxyamino)-1-oxo-3-heptanyl]-1,2,4-oxadiazol-3-yl}methyl)benzoat [German] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.547
Molar Refractivity: 93.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.66
ACD/KOC (pH 5.5): 260.62
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.28
ACD/KOC (pH 7.4): 254.74
Polar Surface Area: 115 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 295.5±3.0 cm3

Click to predict properties on the Chemicalize site


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