Found 574 results

Search term: MF = 'C_{28}H_{44}N_{4}O_{4}'
ChemSpider 2D Image | 4-{2-[(1S,3R,4R)-2-Methoxy-1-methyl-4-({4-[(2-methyl-2-propanyl)oxy]phenoxy}methyl)-3-(1H-1,2,4-triazol-1-ylmethyl)cyclohexyl]ethyl}morpholine | C28H44N4O4

4-{2-[(1S,3R,4R)-2-Methoxy-1-methyl-4-({4-[(2-methyl-2-propanyl)oxy]phenoxy}methyl)-3-(1H-1,2,4-triazol-1-ylmethyl)cyclohexyl]ethyl}morpholine

  • Molecular FormulaC28H44N4O4
  • Average mass500.673 Da
  • Monoisotopic mass500.336243 Da
  • ChemSpider ID23147148

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

4-{2-[(1S,3R,4R)-2-Methoxy-1-methyl-4-({4-[(2-methyl-2-propanyl)oxy]phenoxy}methyl)-3-(1H-1,2,4-triazol-1-ylmethyl)cyclohexyl]ethyl}morpholin [German] [ACD/IUPAC Name]
4-{2-[(1S,3R,4R)-2-Methoxy-1-methyl-4-({4-[(2-methyl-2-propanyl)oxy]phenoxy}methyl)-3-(1H-1,2,4-triazol-1-ylmethyl)cyclohexyl]ethyl}morpholine [ACD/IUPAC Name]
4-{2-[(1S,3R,4R)-2-Méthoxy-1-méthyl-4-({4-[(2-méthyl-2-propanyl)oxy]phénoxy}méthyl)-3-(1H-1,2,4-triazol-1-ylméthyl)cyclohexyl]éthyl}morpholine [French] [ACD/IUPAC Name]
Morpholine, 4-[2-[(1S,3R,4R)-4-[[4-(1,1-dimethylethoxy)phenoxy]methyl]-2-methoxy-1-methyl-3-(1H-1,2,4-triazol-1-ylmethyl)cyclohexyl]ethyl]- [ACD/Index Name]
4-{2-[(1S,3R,4R)-4-(4-tert-Butoxy-phenoxymethyl)-2-methoxy-1-methyl-3-[1,2,4]triazol-1-ylmethyl-cyclohexyl]-ethyl}-morpholine
Ro-09-2550

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.5±58.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.6±32.3 °C
Index of Refraction: 1.567
Molar Refractivity: 141.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 2.57
ACD/KOC (pH 5.5): 18.35
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 110.44
ACD/KOC (pH 7.4): 789.69
Polar Surface Area: 71 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 432.1±7.0 cm3

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