ChemSpider 2D Image | (2R)-N-[(1R)-1-(1,3-Benzodioxol-5-yl)butyl]-3,3-diethyl-2-{4-[(4-methyl-1-piperazinyl)carbonyl]phenoxy}-4-oxo-1-azetidinecarboxamide | C31H40N4O6

(2R)-N-[(1R)-1-(1,3-Benzodioxol-5-yl)butyl]-3,3-diethyl-2-{4-[(4-methyl-1-piperazinyl)carbonyl]phenoxy}-4-oxo-1-azetidinecarboxamide

  • Molecular FormulaC31H40N4O6
  • Average mass564.672 Da
  • Monoisotopic mass564.294800 Da
  • ChemSpider ID128924625

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-N-[(1R)-1-(1,3-Benzodioxol-5-yl)butyl]-3,3-diethyl-2-{4-[(4-methyl-1-piperazinyl)carbonyl]phenoxy}-4-oxo-1-azetidincarboxamid [German] [ACD/IUPAC Name]
(2R)-N-[(1R)-1-(1,3-Benzodioxol-5-yl)butyl]-3,3-diethyl-2-{4-[(4-methyl-1-piperazinyl)carbonyl]phenoxy}-4-oxo-1-azetidinecarboxamide [ACD/IUPAC Name]
(2R)-N-[(1R)-1-(1,3-Benzodioxol-5-yl)butyl]-3,3-diéthyl-2-{4-[(4-méthyl-1-pipérazinyl)carbonyl]phénoxy}-4-oxo-1-azétidinecarboxamide [French] [ACD/IUPAC Name]
1-Azetidinecarboxamide, N-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]-3,3-diethyl-2-[4-[(4-methyl-1-piperazinyl)carbonyl]phenoxy]-4-oxo-, (2R)- [ACD/Index Name]
157341-41-8 [RN]
1-Azetidinecarboxamide, N-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]-3,3-diethyl-2-[4-[(4-methyl-1-piperazinyl)carbonyl]phenoxy]-4-oxo-, (2S)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.582
Molar Refractivity: 153.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 7.19
ACD/KOC (pH 5.5): 62.19
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 109.48
ACD/KOC (pH 7.4): 946.80
Polar Surface Area: 101 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 460.0±3.0 cm3

Click to predict properties on the Chemicalize site


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