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

ChemSpider 2D Image | N-{1-[1-(2-Fluorobenzoyl)-4-piperidinyl]-2-(isobutylamino)-2-oxoethyl}-1,3-benzodioxole-5-carboxamide | C26H30FN3O5

N-{1-[1-(2-Fluorobenzoyl)-4-piperidinyl]-2-(isobutylamino)-2-oxoethyl}-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC26H30FN3O5
  • Average mass483.532 Da
  • Monoisotopic mass483.216949 Da
  • ChemSpider ID22665989

More details:






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

4-Piperidineacetamide, α-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1-(2-fluorobenzoyl)-N-(2-methylpropyl)- [ACD/Index Name]
N-{1-[1-(2-Fluorbenzoyl)-4-piperidinyl]-2-(isobutylamino)-2-oxoethyl}-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
N-{1-[1-(2-Fluorobenzoyl)-4-piperidinyl]-2-(isobutylamino)-2-oxoethyl}-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
N-{1-[1-(2-Fluorobenzoyl)-4-pipéridinyl]-2-(isobutylamino)-2-oxoéthyl}-1,3-benzodioxole-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 374.9±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 127.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.62
ACD/KOC (pH 5.5): 303.67
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.62
ACD/KOC (pH 7.4): 303.66
Polar Surface Area: 97 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 382.6±3.0 cm3

Click to predict properties on the Chemicalize site






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