ChemSpider 2D Image | N-((2s,3r)-1-(4-Fluorophenyl)-3-Hydroxy-4-((6'-Neopentyl-3',4'-Dihydrospiro[cyclobutane-1,2'-Pyrano[2,3-B]pyridin]-4'-Yl)amino)butan-2-Yl)acetamide | C28H38FN3O3

N-((2s,3r)-1-(4-Fluorophenyl)-3-Hydroxy-4-((6'-Neopentyl-3',4'-Dihydrospiro[cyclobutane-1,2'-Pyrano[2,3-B]pyridin]-4'-Yl)amino)butan-2-Yl)acetamide

  • Molecular FormulaC28H38FN3O3
  • Average mass483.618 Da
  • Monoisotopic mass483.289734 Da
  • ChemSpider ID28511279
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

Acetamide, N-[(1S,2R)-3-[[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-[2H]pyrano[2,3-b]pyridin]-4'-yl]amino]-1-[(4-fluorophenyl)methyl]-2-hydroxypropyl]- [ACD/Index Name]
N-((2s,3r)-1-(4-Fluorophenyl)-3-Hydroxy-4-((6'-Neopentyl-3',4'-Dihydrospiro[cyclobutane-1,2'-Pyrano[2,3-B]pyridin]-4'-Yl)amino)butan-2-Yl)acetamide
N-[(2S,3R)-4-{[(4'S)-6'-(2,2-Dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-1-(4-fluorophenyl)-3-hydroxy-2-butanyl]acetamide [ACD/IUPAC Name]
0MP
939444-26-5 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 700.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 377.4±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 134.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 397.76
ACD/KOC (pH 5.5): 1689.04
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1576.86
ACD/KOC (pH 7.4): 6696.00
Polar Surface Area: 83 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 403.4±5.0 cm3

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