ChemSpider 2D Image | 6-({4-[(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}carbonyl)-2-methyl-3(2H)-pyridazinone | C16H22N6O4S

6-({4-[(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}carbonyl)-2-methyl-3(2H)-pyridazinone

  • Molecular FormulaC16H22N6O4S
  • Average mass394.449 Da
  • Monoisotopic mass394.142334 Da
  • ChemSpider ID34493908

More details:

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

3(2H)-Pyridazinone, 6-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]hexahydro-1H-1,4-diazepin-1-yl]carbonyl]-2-methyl- [ACD/Index Name]
6-({4-[(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}carbonyl)-2-methyl-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
6-({4-[(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepan-1-yl}carbonyl)-2-methyl-3(2H)-pyridazinone [ACD/IUPAC Name]
6-({4-[(3,5-Diméthyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazépan-1-yl}carbonyl)-2-méthyl-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
6-(4-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)-1,4-diazepane-1-carbonyl)-2-methylpyridazin-3(2H)-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 626.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.7±34.3 °C
Index of Refraction: 1.689
Molar Refractivity: 100.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.07
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.07
Polar Surface Area: 127 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 263.3±7.0 cm3

Click to predict properties on the Chemicalize site


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