ChemSpider 2D Image | 1-(1-Azepanyl)-2-[4-({1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-piperidinyl}carbonyl)-1-piperazinyl]ethanone | C23H38N6O4S

1-(1-Azepanyl)-2-[4-({1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-piperidinyl}carbonyl)-1-piperazinyl]ethanone

  • Molecular FormulaC23H38N6O4S
  • Average mass494.651 Da
  • Monoisotopic mass494.267517 Da
  • ChemSpider ID34348121

More details:

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

1-(1-Azepanyl)-2-[4-({1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-piperidinyl}carbonyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
1-(1-Azepanyl)-2-[4-({1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-piperidinyl}carbonyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
1-(1-Azépanyl)-2-[4-({1-[(1,2-diméthyl-1H-imidazol-4-yl)sulfonyl]-4-pipéridinyl}carbonyl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[4-[[1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-4-piperidinyl]carbonyl]-1-piperazinyl]-1-(hexahydro-1H-azepin-1-yl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 743.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 403.2±35.7 °C
Index of Refraction: 1.656
Molar Refractivity: 132.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 58.51
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 68.49
Polar Surface Area: 107 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 360.2±7.0 cm3

Click to predict properties on the Chemicalize site


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