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-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)ethanone | C34H34N4O5

2-[4-(1,3-Benzodioxol-5-yl)-2-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-1-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)ethanone

  • Molecular FormulaC34H34N4O5
  • Average mass578.658 Da
  • Monoisotopic mass578.252930 Da
  • ChemSpider ID22132264

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-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)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-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)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-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)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-spiro[1H-indene-1,4'-piperidin]-1'-yl- [ACD/Index Name]
1-{5-(1,3-benzodioxol-5-yl)-2-[2-oxo-2-(1'H-spiro[indene-1,4'-piperidin]-1'-yl)ethoxy]phenyl}-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 743.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 403.2±35.7 °C
Index of Refraction: 1.679
Molar Refractivity: 160.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 901.47
ACD/KOC (pH 5.5): 3509.59
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2184.21
ACD/KOC (pH 7.4): 8503.56
Polar Surface Area: 90 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 425.4±5.0 cm3

Click to predict properties on the Chemicalize site


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