ChemSpider 2D Image | 1-{1-Benzothiophen-3-yl[4-(benzyloxy)-3,5-dimethoxyphenyl]methyl}-3-piperidinecarboxylic acid | C30H31NO5S

1-{1-Benzothiophen-3-yl[4-(benzyloxy)-3,5-dimethoxyphenyl]methyl}-3-piperidinecarboxylic acid

  • Molecular FormulaC30H31NO5S
  • Average mass517.636 Da
  • Monoisotopic mass517.192322 Da
  • ChemSpider ID4296781

More details:

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

1-{1-Benzothiophen-3-yl[4-(benzyloxy)-3,5-dimethoxyphenyl]methyl}-3-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-{1-Benzothiophen-3-yl[4-(benzyloxy)-3,5-dimethoxyphenyl]methyl}-3-piperidinecarboxylic acid [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[benzo[b]thien-3-yl[3,5-dimethoxy-4-(phenylmethoxy)phenyl]methyl]- [ACD/Index Name]
Acide 1-{1-benzothiophén-3-yl[4-(benzyloxy)-3,5-diméthoxyphényl]méthyl}-3-pipéridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 671.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 359.6±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 147.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 36.65
ACD/KOC (pH 5.5): 90.52
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 33.48
ACD/KOC (pH 7.4): 82.70
Polar Surface Area: 96 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 408.2±3.0 cm3

Click to predict properties on the Chemicalize site


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