ChemSpider 2D Image | 1-[5-Methoxy-2-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-3-(4-methyl-1-piperazinyl)-2-propanol | C21H33N5O4

1-[5-Methoxy-2-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-3-(4-methyl-1-piperazinyl)-2-propanol

  • Molecular FormulaC21H33N5O4
  • Average mass419.518 Da
  • Monoisotopic mass419.253265 Da
  • ChemSpider ID22203856

More details:

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

1-[5-Methoxy-2-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-3-(4-methyl-1-piperazinyl)-2-propanol [ACD/IUPAC Name]
1-[5-Methoxy-2-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-3-(4-methyl-1-piperazinyl)-2-propanol [German] [ACD/IUPAC Name]
1-[5-Méthoxy-2-({méthyl[(4-méthyl-1,2,5-oxadiazol-3-yl)méthyl]amino}méthyl)phénoxy]-3-(4-méthyl-1-pipérazinyl)-2-propanol [French] [ACD/IUPAC Name]
1-Piperazineethanol, α-[[5-methoxy-2-[[methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]methyl]-4-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 571.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 299.6±32.9 °C
Index of Refraction: 1.556
Molar Refractivity: 114.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 42.57
Polar Surface Area: 87 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 355.7±3.0 cm3

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