ChemSpider 2D Image | 8-{[(2S)-5-Methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl}-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | C23H27N3O3

8-{[(2S)-5-Methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl}-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

  • Molecular FormulaC23H27N3O3
  • Average mass393.479 Da
  • Monoisotopic mass393.205231 Da
  • ChemSpider ID34989448

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3,8-Triazaspiro[4.5]decan-4-one, 8-[[(2S)-2,3-dihydro-5-methoxy-2-benzofuranyl]methyl]-1-phenyl- [ACD/Index Name]
37603-15-9 [RN]
8-{[(2S)-5-Methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl}-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-on [German] [ACD/IUPAC Name]
8-{[(2S)-5-Methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl}-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one [ACD/IUPAC Name]
8-{[(2S)-5-Méthoxy-2,3-dihydro-1-benzofuran-2-yl]méthyl}-1-phényl-1,3,8-triazaspiro[4.5]décan-4-one [French] [ACD/IUPAC Name]

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

BQW4X08BXE [DBID]
SU-23397 [DBID]
UNII:BQW4X08BXE [DBID]
UNII-BQW4X08BXE [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 618.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 328.0±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 111.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.70
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.61
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 6.58
ACD/KOC (pH 7.4): 81.54
Polar Surface Area: 54 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 302.8±5.0 cm3

Click to predict properties on the Chemicalize site


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