ChemSpider 2D Image | 2-{4-[2-(1-Azepanyl)-2-oxoethyl]-1-piperazinyl}-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide | C23H33N5O5

2-{4-[2-(1-Azepanyl)-2-oxoethyl]-1-piperazinyl}-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide

  • Molecular FormulaC23H33N5O5
  • Average mass459.539 Da
  • Monoisotopic mass459.248169 Da
  • ChemSpider ID21691736

More details:

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

1-Piperazineacetamide, N-[[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]carbonyl]-4-[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]- [ACD/Index Name]
2-{4-[2-(1-Azepanyl)-2-oxoethyl]-1-piperazinyl}-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamid [German] [ACD/IUPAC Name]
2-{4-[2-(1-Azepanyl)-2-oxoethyl]-1-piperazinyl}-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide [ACD/IUPAC Name]
2-{4-[2-(1-Azépanyl)-2-oxoéthyl]-1-pipérazinyl}-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acétamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.589
Molar Refractivity: 121.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 9.01
ACD/KOC (pH 5.5): 137.07
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.09
ACD/KOC (pH 7.4): 275.24
Polar Surface Area: 103 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 361.0±3.0 cm3

Click to predict properties on the Chemicalize site


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