ChemSpider 2D Image | N-[(2R,3R)-2-Methoxy-1'-(2-methylbenzyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-(methylsulfanyl)acetamide | C25H32N2O2S

N-[(2R,3R)-2-Methoxy-1'-(2-methylbenzyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-(methylsulfanyl)acetamide

  • Molecular FormulaC25H32N2O2S
  • Average mass424.599 Da
  • Monoisotopic mass424.218445 Da
  • ChemSpider ID22865859

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetamide, N-[(2R,3R)-2,3-dihydro-2-methoxy-1'-[(2-methylphenyl)methyl]spiro[1H-indene-1,4'-piperidin]-3-yl]-2-(methylthio)- [ACD/Index Name]
N-[(2R,3R)-2-Methoxy-1'-(2-methylbenzyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-(methylsulfanyl)acetamid [German] [ACD/IUPAC Name]
N-[(2R,3R)-2-Methoxy-1'-(2-methylbenzyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-(methylsulfanyl)acetamide [ACD/IUPAC Name]
N-[(2R,3R)-2-Méthoxy-1'-(2-méthylbenzyl)-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-(méthylsulfanyl)acétamide [French] [ACD/IUPAC Name]
N-[(2R*,3R*)-2-methoxy-1'-(2-methylbenzyl)-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: 605.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 319.9±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 124.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 2.65
ACD/KOC (pH 5.5): 11.74
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 112.97
ACD/KOC (pH 7.4): 500.39
Polar Surface Area: 67 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 356.0±5.0 cm3

Click to predict properties on the Chemicalize site


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