ChemSpider 2D Image | 5,5-Dimethyl-3-(2-oxo-2-{4-[3-(4H-1,2,4-triazol-4-yl)propanoyl]-1,4-diazepan-1-yl}ethyl)-2,4-imidazolidinedione | C17H25N7O4

5,5-Dimethyl-3-(2-oxo-2-{4-[3-(4H-1,2,4-triazol-4-yl)propanoyl]-1,4-diazepan-1-yl}ethyl)-2,4-imidazolidinedione

  • Molecular FormulaC17H25N7O4
  • Average mass391.425 Da
  • Monoisotopic mass391.196808 Da
  • ChemSpider ID70955691

More details:

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

2,4-Imidazolidinedione, 3-[2-[hexahydro-4-[1-oxo-3-(4H-1,2,4-triazol-4-yl)propyl]-1H-1,4-diazepin-1-yl]-2-oxoethyl]-5,5-dimethyl- [ACD/Index Name]
5,5-Dimethyl-3-(2-oxo-2-{4-[3-(4H-1,2,4-triazol-4-yl)propanoyl]-1,4-diazepan-1-yl}ethyl)-2,4-imidazolidindion [German] [ACD/IUPAC Name]
5,5-Dimethyl-3-(2-oxo-2-{4-[3-(4H-1,2,4-triazol-4-yl)propanoyl]-1,4-diazepan-1-yl}ethyl)-2,4-imidazolidinedione [ACD/IUPAC Name]
5,5-Diméthyl-3-(2-oxo-2-{4-[3-(4H-1,2,4-triazol-4-yl)propanoyl]-1,4-diazépan-1-yl}éthyl)-2,4-imidazolidinedione [French] [ACD/IUPAC Name]
5,5-dimethyl-3-(2-oxo-2-{4-[3-(4H-1,2,4-triazol-4-yl)propanoyl]-1,4-diazepan-1-yl}ethyl)imidazolidine-2,4-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.676
Molar Refractivity: 101.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.69
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.14
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.58
Polar Surface Area: 121 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 63.7±7.0 dyne/cm
Molar Volume: 270.7±7.0 cm3

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