ChemSpider 2D Image | 1-{2-[(2,6-Diethoxy-4'-fluoro-4-biphenylyl)methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl}-4-piperidinecarboxylic acid | C28H34FN3O5

1-{2-[(2,6-Diethoxy-4'-fluoro-4-biphenylyl)methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl}-4-piperidinecarboxylic acid

  • Molecular FormulaC28H34FN3O5
  • Average mass511.585 Da
  • Monoisotopic mass511.248260 Da
  • ChemSpider ID72379841

More details:

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

1-{2-[(2,6-Diethoxy-4'-fluor-4-biphenylyl)methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl}-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-{2-[(2,6-Diethoxy-4'-fluoro-4-biphenylyl)methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl}-4-piperidinecarboxylic acid [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[2-[(2,6-diethoxy-4'-fluoro[1,1'-biphenyl]-4-yl)methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]- [ACD/Index Name]
Acide 1-{2-[(2,6-diéthoxy-4'-fluoro-4-biphénylyl)méthyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-én-7-yl}-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]
1-[2-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]piperidine-4-carboxylic acid
1628741-91-2 [RN]
SSTR5 antagonist 1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 614.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 325.2±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 135.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 6.95
ACD/KOC (pH 5.5): 66.81
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.20
Polar Surface Area: 84 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 387.0±7.0 cm3

Click to predict properties on the Chemicalize site


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