ChemSpider 2D Image | 3-[(4-Methyl-1,4-diazepan-1-yl)carbonyl]-5-{[(2E)-4-methyl-2-penten-1-yl]amino}-N-(2-methyl-2-propanyl)benzenesulfonamide | C23H38N4O3S

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

  • Molecular FormulaC23H38N4O3S
  • Average mass450.638 Da
  • Monoisotopic mass450.266449 Da
  • ChemSpider ID23038554

  • Double-bond stereo - Double-bond stereo

More details:

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

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 615.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 326.0±34.3 °C
Index of Refraction: 1.550
Molar Refractivity: 127.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.22
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 4.71
ACD/KOC (pH 7.4): 49.38
Polar Surface Area: 90 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 399.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement