ChemSpider 2D Image | 1-Ethyl-4-{[4-(1H-imidazol-4-ylsulfonyl)-1,4-diazepan-1-yl]carbonyl}-2,3-piperazinedione | C15H22N6O5S

1-Ethyl-4-{[4-(1H-imidazol-4-ylsulfonyl)-1,4-diazepan-1-yl]carbonyl}-2,3-piperazinedione

  • Molecular FormulaC15H22N6O5S
  • Average mass398.437 Da
  • Monoisotopic mass398.137238 Da
  • ChemSpider ID39505672

More details:

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

1-Ethyl-4-{[4-(1H-imidazol-4-ylsulfonyl)-1,4-diazepan-1-yl]carbonyl}-2,3-piperazindion [German] [ACD/IUPAC Name]
1-Ethyl-4-{[4-(1H-imidazol-4-ylsulfonyl)-1,4-diazepan-1-yl]carbonyl}-2,3-piperazinedione [ACD/IUPAC Name]
1-Éthyl-4-{[4-(1H-imidazol-4-ylsulfonyl)-1,4-diazépan-1-yl]carbonyl}-2,3-pipérazinedione [French] [ACD/IUPAC Name]
2,3-Piperazinedione, 1-ethyl-4-[[hexahydro-4-(1H-imidazol-4-ylsulfonyl)-1H-1,4-diazepin-1-yl]carbonyl]- [ACD/Index Name]
1-(4-((1H-imidazol-4-yl)sulfonyl)-1,4-diazepane-1-carbonyl)-4-ethylpiperazine-2,3-dione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 647.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 345.2±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 94.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -3.49
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.42
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.51
Polar Surface Area: 135 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 69.1±3.0 dyne/cm
Molar Volume: 271.6±3.0 cm3

Click to predict properties on the Chemicalize site


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