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Search term: ZBESVDZJKYUNSL (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-[4-(1,3-Benzodioxol-5-yl)-2-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethanone | C33H37N5O5

2-[4-(1,3-Benzodioxol-5-yl)-2-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethanone

  • Molecular FormulaC33H37N5O5
  • Average mass583.677 Da
  • Monoisotopic mass583.279480 Da
  • ChemSpider ID22125999

More details:






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

2-[4-(1,3-Benzodioxol-5-yl)-2-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
2-[4-(1,3-Benzodioxol-5-yl)-2-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
2-[4-(1,3-Benzodioxol-5-yl)-2-({méthyl[(4-méthyl-1,2,5-oxadiazol-3-yl)méthyl]amino}méthyl)phénoxy]-1-[4-(2,3-diméthylphényl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[4-(1,3-benzodioxol-5-yl)-2-[[methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]- [ACD/Index Name]
(5-(1,3-benzodioxol-5-yl)-2-{2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethoxy}benzyl)methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 748.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 406.3±35.7 °C
Index of Refraction: 1.613
Molar Refractivity: 161.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 339.70
ACD/KOC (pH 5.5): 1734.08
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 841.42
ACD/KOC (pH 7.4): 4295.24
Polar Surface Area: 93 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 464.2±3.0 cm3

Click to predict properties on the Chemicalize site






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