ChemSpider 2D Image | 2-[Bis(2-methoxyethyl)amino]-1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}ethanone | C17H30N4O6S

2-[Bis(2-methoxyethyl)amino]-1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}ethanone

  • Molecular FormulaC17H30N4O6S
  • Average mass418.508 Da
  • Monoisotopic mass418.188599 Da
  • ChemSpider ID21950307

More details:

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

2-[Bis(2-methoxyethyl)amino]-1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
2-[Bis(2-methoxyethyl)amino]-1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
2-[Bis(2-méthoxyéthyl)amino]-1-{4-[(3,5-diméthyl-1,2-oxazol-4-yl)sulfonyl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-[bis(2-methoxyethyl)amino]-1-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 600.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 317.1±34.3 °C
Index of Refraction: 1.533
Molar Refractivity: 103.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.31
Polar Surface Area: 114 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 334.7±3.0 cm3

Click to predict properties on the Chemicalize site


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