ChemSpider 2D Image | AGN-204396 | C32H44FN3O4

AGN-204396

  • Molecular FormulaC32H44FN3O4
  • Average mass553.708 Da
  • Monoisotopic mass553.331604 Da
  • ChemSpider ID32699664

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-Oxazolecarboxamide, N-(4-cyclohexylbutyl)-2-[(1R,2S,3R,4S)-3-[[2-[3-(ethylamino)-3-oxopropyl]-5-fluorophenyl]methyl]-7-oxabicyclo[2.2.1]hept-2-yl]- [ACD/Index Name]
847665-57-0 [RN]
AGN-204396
GBR3Z00HUV
N-(4-Cyclohexylbutyl)-2-[(1R,2S,3R,4S)-3-{2-[3-(ethylamino)-3-oxopropyl]-5-fluorbenzyl}-7-oxabicyclo[2.2.1]hept-2-yl]-1,3-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
N-(4-Cyclohexylbutyl)-2-[(1R,2S,3R,4S)-3-{2-[3-(ethylamino)-3-oxopropyl]-5-fluorobenzyl}-7-oxabicyclo[2.2.1]hept-2-yl]-1,3-oxazole-4-carboxamide [ACD/IUPAC Name]
N-(4-Cyclohexylbutyl)-2-[(1R,2S,3R,4S)-3-{2-[3-(éthylamino)-3-oxopropyl]-5-fluorobenzyl}-7-oxabicyclo[2.2.1]hept-2-yl]-1,3-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
UNII:GBR3Z00HUV
UNII-GBR3Z00HUV

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

Density: 1.2±0.1 g/cm3
Boiling Point: 761.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.3±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 151.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2322.40
ACD/KOC (pH 5.5): 8931.68
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2322.40
ACD/KOC (pH 7.4): 8931.69
Polar Surface Area: 93 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 479.6±3.0 cm3

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