ChemSpider 2D Image | 1'-[3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)propanoyl]-16-methyl-4,5,9,10,11,12-hexahydro-2H-spiro[1,5,12-benzoxadiazacyclopentadecine-7,4'-piperidine]-6,13(3H,8H)-dione | C28H40N6O4

1'-[3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)propanoyl]-16-methyl-4,5,9,10,11,12-hexahydro-2H-spiro[1,5,12-benzoxadiazacyclopentadecine-7,4'-piperidine]-6,13(3H,8H)-dione

  • Molecular FormulaC28H40N6O4
  • Average mass524.655 Da
  • Monoisotopic mass524.311096 Da
  • ChemSpider ID114677960

More details:

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

1'-[3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)propanoyl]-16-methyl-4,5,9,10,11,12-hexahydro-2H-spiro[1,5,12-benzoxadiazacyclopentadecine-7,4'-piperidine]-6,13(3H,8H)-dion [German] [ACD/IUPAC Name]
1'-[3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)propanoyl]-16-methyl-4,5,9,10,11,12-hexahydro-2H-spiro[1,5,12-benzoxadiazacyclopentadecine-7,4'-piperidine]-6,13(3H,8H)-dione [ACD/IUPAC Name]
1'-[3-(3,5-Diméthyl-1H-1,2,4-triazol-1-yl)propanoyl]-16-méthyl-4,5,9,10,11,12-hexahydro-2H-spiro[1,5,12-benzoxadiazacyclopentadecine-7,4'-piperidine]-6,13(3H,8H)-dione [French] [ACD/IUPAC Name]
Spiro[1,5,12-benzoxadiazacyclopentadecine-7(2H),4'-piperidine]-6,13(8H)-dione, 1'-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-1-oxopropyl]-2,3,4,5,9,10,11,12-octahydro-16-methyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 145.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 18.98
ACD/KOC (pH 5.5): 283.10
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.71
ACD/KOC (pH 7.4): 293.99
Polar Surface Area: 118 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 410.1±7.0 cm3

Click to predict properties on the Chemicalize site


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