ChemSpider 2D Image | (3-{[4-(2-Ethoxyphenyl)-1-piperazinyl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)(4-methyl-1,4-diazepan-1-yl)methanone | C23H34N6O4S

(3-{[4-(2-Ethoxyphenyl)-1-piperazinyl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)(4-methyl-1,4-diazepan-1-yl)methanone

  • Molecular FormulaC23H34N6O4S
  • Average mass490.619 Da
  • Monoisotopic mass490.236237 Da
  • ChemSpider ID27317412

More details:

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

(3-{[4-(2-Ethoxyphenyl)-1-piperazinyl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)(4-methyl-1,4-diazepan-1-yl)methanon [German] [ACD/IUPAC Name]
(3-{[4-(2-Ethoxyphenyl)-1-piperazinyl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)(4-methyl-1,4-diazepan-1-yl)methanone [ACD/IUPAC Name]
(3-{[4-(2-Éthoxyphényl)-1-pipérazinyl]sulfonyl}-1-méthyl-1H-pyrazol-4-yl)(4-méthyl-1,4-diazépan-1-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3-[[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl]-1-methyl-1H-pyrazol-4-yl](hexahydro-4-methyl-1H-1,4-diazepin-1-yl)- [ACD/Index Name]
(3-{[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)(4-methyl-1,4-diazepan-1-yl)methanone
{3-[4-(2-Ethoxy-phenyl)-piperazine-1-sulfonyl]-1-methyl-1H-pyrazol-4-yl}-(4-methyl-[1,4]diazepan-1-yl)-methanone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.7±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 132.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.06
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.03
Polar Surface Area: 100 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 368.5±7.0 cm3

Click to predict properties on the Chemicalize site


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