Found 1 result

Search term: BKQWEYFPSIGUMT-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-Ethoxy-4-[(4-{[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-piperazinyl)methyl]-2H-chromen-2-one | C28H31N3O5

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

  • Molecular FormulaC28H31N3O5
  • Average mass489.563 Da
  • Monoisotopic mass489.226379 Da
  • ChemSpider ID21638422

More details:

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

2H-1-Benzopyran-2-one, 6-ethoxy-4-[[4-[[2-(2-methoxyphenyl)-5-methyl-4-oxazolyl]methyl]-1-piperazinyl]methyl]- [ACD/Index Name]
6-Ethoxy-4-[(4-{[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-piperazinyl)methyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
6-Ethoxy-4-[(4-{[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-piperazinyl)methyl]-2H-chromen-2-one [ACD/IUPAC Name]
6-Éthoxy-4-[(4-{[2-(2-méthoxyphényl)-5-méthyl-1,3-oxazol-4-yl]méthyl}-1-pipérazinyl)méthyl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
6-ethoxy-4-[(4-{[2-(2-methoxyphenyl)-5-methyl(1,3-oxazol-4-yl)]methyl}piperazinyl)methyl]chromen-2-one
6-ethoxy-4-[(4-{[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperazin-1-yl)methyl]-2H-chromen-2-one
6-Ethoxy-4-{4-[2-(2-methoxy-phenyl)-5-methyl-oxazol-4-ylmethyl]-piperazin-1-ylmethyl}-chromen-2-one
MFCD09780209

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

Density: 1.2±0.1 g/cm3
Boiling Point: 674.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 361.7±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 135.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 28.03
ACD/KOC (pH 5.5): 203.40
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 226.26
ACD/KOC (pH 7.4): 1641.71
Polar Surface Area: 77 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 397.7±3.0 cm3

Click to predict properties on the Chemicalize site


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