Found 1 result

Search term: BNIQFAPHTLCOKN-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-[(4-{[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-piperazinyl)methyl]-6-ethoxy-2H-chromen-2-one | C27H28ClN3O4

4-[(4-{[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-piperazinyl)methyl]-6-ethoxy-2H-chromen-2-one

  • Molecular FormulaC27H28ClN3O4
  • Average mass493.982 Da
  • Monoisotopic mass493.176819 Da
  • ChemSpider ID21638184

More details:

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

2H-1-Benzopyran-2-one, 4-[[4-[[2-(4-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-1-piperazinyl]methyl]-6-ethoxy- [ACD/Index Name]
4-[(4-{[2-(4-Chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-piperazinyl)methyl]-6-ethoxy-2H-chromen-2-one [ACD/IUPAC Name]
4-[(4-{[2-(4-Chlorophényl)-5-méthyl-1,3-oxazol-4-yl]méthyl}-1-pipérazinyl)méthyl]-6-éthoxy-2H-chromén-2-one [French] [ACD/IUPAC Name]
4-[(4-{[2-(4-Chlorphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-piperazinyl)methyl]-6-ethoxy-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-[(4-{[2-(4-chlorophenyl)-5-methyl(1,3-oxazol-4-yl)]methyl}piperazinyl)methyl]-6-ethoxychromen-2-one
4-[(4-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-6-ethoxy-2H-chromen-2-one
4-{4-[2-(4-Chloro-phenyl)-5-methyl-oxazol-4-ylmethyl]-piperazin-1-ylmethyl}-6-ethoxy-chromen-2-one
MFCD09779966

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

Density: 1.3±0.1 g/cm3
Boiling Point: 662.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.7±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 133.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 140.82
ACD/KOC (pH 5.5): 673.33
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 995.52
ACD/KOC (pH 7.4): 4760.02
Polar Surface Area: 68 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 385.6±3.0 cm3

Click to predict properties on the Chemicalize site


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