Found 574 results

Search term: MF = 'C_{28}H_{44}N_{4}O_{4}'
ChemSpider 2D Image | 1-[12-{[4-(2-Hydroxyethyl)-1-piperazinyl]carbonyl}-9-(tetrahydro-2H-pyran-4-yl)-3,4,5,6,7,8,9,10-octahydro-1,9-benzodiazacyclododecin-1(2H)-yl]ethanone | C28H44N4O4

1-[12-{[4-(2-Hydroxyethyl)-1-piperazinyl]carbonyl}-9-(tetrahydro-2H-pyran-4-yl)-3,4,5,6,7,8,9,10-octahydro-1,9-benzodiazacyclododecin-1(2H)-yl]ethanone

  • Molecular FormulaC28H44N4O4
  • Average mass500.673 Da
  • Monoisotopic mass500.336243 Da
  • ChemSpider ID77202599

More details:

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

1-[12-{[4-(2-Hydroxyethyl)-1-piperazinyl]carbonyl}-9-(tetrahydro-2H-pyran-4-yl)-3,4,5,6,7,8,9,10-octahydro-1,9-benzodiazacyclododecin-1(2H)-yl]ethanon [German] [ACD/IUPAC Name]
1-[12-{[4-(2-Hydroxyethyl)-1-piperazinyl]carbonyl}-9-(tetrahydro-2H-pyran-4-yl)-3,4,5,6,7,8,9,10-octahydro-1,9-benzodiazacyclododecin-1(2H)-yl]ethanone [ACD/IUPAC Name]
1-[12-{[4-(2-Hydroxyéthyl)-1-pipérazinyl]carbonyl}-9-(tétrahydro-2H-pyran-4-yl)-3,4,5,6,7,8,9,10-octahydro-1,9-benzodiazacyclododécin-1(2H)-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[3,4,5,6,7,8,9,10-octahydro-12-[[4-(2-hydroxyethyl)-1-piperazinyl]carbonyl]-9-(tetrahydro-2H-pyran-4-yl)-1,9-benzodiazacyclododecin-1(2H)-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 737.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 399.6±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 140.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.32
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 4.71
ACD/KOC (pH 7.4): 55.33
Polar Surface Area: 77 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 438.5±3.0 cm3

Click to predict properties on the Chemicalize site


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