ChemSpider 2D Image | 3-[(4-Methyl-1,4-diazepan-1-yl)carbonyl]-N-(2-methyl-2-propanyl)-5-{[(1-methyl-4-pyrazolidinyl)methyl]amino}benzenesulfonamide | C22H38N6O3S

3-[(4-Methyl-1,4-diazepan-1-yl)carbonyl]-N-(2-methyl-2-propanyl)-5-{[(1-methyl-4-pyrazolidinyl)methyl]amino}benzenesulfonamide

  • Molecular FormulaC22H38N6O3S
  • Average mass466.641 Da
  • Monoisotopic mass466.272614 Da
  • ChemSpider ID110328948

More details:

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

3-[(4-Methyl-1,4-diazepan-1-yl)carbonyl]-N-(2-methyl-2-propanyl)-5-{[(1-methyl-4-pyrazolidinyl)methyl]amino}benzenesulfonamide [ACD/IUPAC Name]
3-[(4-Méthyl-1,4-diazépan-1-yl)carbonyl]-N-(2-méthyl-2-propanyl)-5-{[(1-méthyl-4-pyrazolidinyl)méthyl]amino}benzènesulfonamide [French] [ACD/IUPAC Name]
3-[(4-Methyl-1,4-diazepan-1-yl)carbonyl]-N-(2-methyl-2-propanyl)-5-{[(1-methyl-4-pyrazolidinyl)methyl]amino}benzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, N-(1,1-dimethylethyl)-3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)carbonyl]-5-[[(1-methyl-4-pyrazolidinyl)methyl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 653.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.2±34.3 °C
Index of Refraction: 1.563
Molar Refractivity: 128.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -3.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 394.8±3.0 cm3

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