ChemSpider 2D Image | compound 21 [PMID: 21185185] | C18H20FN5O4

compound 21 [PMID: 21185185]

  • Molecular FormulaC18H20FN5O4
  • Average mass389.381 Da
  • Monoisotopic mass389.149933 Da
  • ChemSpider ID26353482

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-2-({3-[3-(5-Fluor-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-L-alanyl}amino)-4-methyl-1-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(4R)-2-({3-[3-(5-Fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-L-alanyl}amino)-4-methyl-1-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 2-[[(2S)-2-amino-3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1-oxopropyl]amino]-4-methyl-, (4R)- [ACD/Index Name]
Acide (4R)-2-({3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-L-alanyl}amino)-4-méthyl-1-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]
compound 21 [PMID: 21185185]
(4R)-2-[[(2S)-2-amino-3-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]-4-methylcyclohexene-1-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 94.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.07
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 73.2±5.0 dyne/cm
Molar Volume: 272.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement