Found 1 result

Search term: IXQPQADYPIEKQC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | DBL-583 | C38H50F2N2O3

DBL-583

  • Molecular FormulaC38H50F2N2O3
  • Average mass620.812 Da
  • Monoisotopic mass620.378967 Da
  • ChemSpider ID8136304

More details:

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

3-(4-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-1-piperazinyl)-1-phenylpropyl decanoate [ACD/IUPAC Name]
3-(4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazin-1-yl)-1-phenylpropyl decanoate
3-(4-{2-[Bis(4-fluorphenyl)methoxy]ethyl}-1-piperazinyl)-1-phenylpropyl-decanoat [German] [ACD/IUPAC Name]
DBL-583 [Wiki]
Décanoate de 3-(4-{2-[bis(4-fluorophényl)méthoxy]éthyl}-1-pipérazinyl)-1-phénylpropyle [French] [ACD/IUPAC Name]
Decanoic acid, 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-piperazinyl]-1-phenylpropyl ester [ACD/Index Name]
CHEMBL341692
Decanoic acid 3-(4-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-yl)-1-phenyl-propyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL341692/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 676.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.8±31.5 °C
Index of Refraction: 1.537
Molar Refractivity: 176.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 9.09
ACD/LogD (pH 5.5): 7.90
ACD/BCF (pH 5.5): 224524.64
ACD/KOC (pH 5.5): 75035.05
ACD/LogD (pH 7.4): 9.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2440765.50
Polar Surface Area: 42 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 566.1±3.0 cm3

Click to predict properties on the Chemicalize site


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