ChemSpider 2D Image | N-[(2R,3R)-2-(Allyloxy)-1'-(2-fluoro-4-methoxybenzyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-(methylsulfanyl)acetamide | C27H33FN2O3S

N-[(2R,3R)-2-(Allyloxy)-1'-(2-fluoro-4-methoxybenzyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-(methylsulfanyl)acetamide

  • Molecular FormulaC27H33FN2O3S
  • Average mass484.626 Da
  • Monoisotopic mass484.219604 Da
  • ChemSpider ID23045070

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetamide, N-[(2R,3R)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-2-(2-propen-1-yloxy)spiro[1H-indene-1,4'-piperidin]-3-yl]-2-(methylthio)- [ACD/Index Name]
N-[(2R,3R)-2-(Allyloxy)-1'-(2-fluor-4-methoxybenzyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-(methylsulfanyl)acetamid [German] [ACD/IUPAC Name]
N-[(2R,3R)-2-(Allyloxy)-1'-(2-fluoro-4-methoxybenzyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-(methylsulfanyl)acetamide [ACD/IUPAC Name]
N-[(2R,3R)-2-(Allyloxy)-1'-(2-fluoro-4-méthoxybenzyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-(méthylsulfanyl)acétamide [French] [ACD/IUPAC Name]
N-[(2R*,3R*)-2-(allyloxy)-1'-(2-fluoro-4-methoxybenzyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-(methylthio)acetamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 635.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.2±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 135.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 7.41
ACD/KOC (pH 5.5): 29.66
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 377.70
ACD/KOC (pH 7.4): 1512.40
Polar Surface Area: 76 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 393.9±5.0 cm3

Click to predict properties on the Chemicalize site


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