ChemSpider 2D Image | (5R)-8,10-Dibromo-N-(3-{2,6-dibromo-4-[2-(methylamino)ethyl]phenoxy}propyl)-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide | C22H25Br4N3O5

(5R)-8,10-Dibromo-N-(3-{2,6-dibromo-4-[2-(methylamino)ethyl]phenoxy}propyl)-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide

  • Molecular FormulaC22H25Br4N3O5
  • Average mass731.067 Da
  • Monoisotopic mass726.852722 Da
  • ChemSpider ID24670994

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-8,10-Dibrom-N-(3-{2,6-dibrom-4-[2-(methylamino)ethyl]phenoxy}propyl)-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-trien-3-carboxamid [German] [ACD/IUPAC Name]
(5R)-8,10-Dibromo-N-(3-{2,6-dibromo-4-[2-(methylamino)ethyl]phenoxy}propyl)-9-methoxy-1,6-dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide [ACD/IUPAC Name]
(5R)-8,10-Dibromo-N-(3-{2,6-dibromo-4-[2-(méthylamino)éthyl]phénoxy}propyl)-9-méthoxy-1,6-dioxa-2-azaspiro[4.6]undéca-2,7,9-triène-3-carboxamide [French] [ACD/IUPAC Name]
1,6-Dioxa-2-azaspiro[4.6]undeca-2,7,9-triene-3-carboxamide, 8,10-dibromo-N-[3-[2,6-dibromo-4-[2-(methylamino)ethyl]phenoxy]propyl]-9-methoxy-, (5R)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.646
Molar Refractivity: 142.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.21
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 1.89
ACD/KOC (pH 7.4): 10.10
Polar Surface Area: 90 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 392.1±7.0 cm3

Click to predict properties on the Chemicalize site


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