ChemSpider 2D Image | 3-(8-Chloro-2-ethyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)-1-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]-1-propanone | C24H32ClN5O2

3-(8-Chloro-2-ethyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)-1-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]-1-propanone

  • Molecular FormulaC24H32ClN5O2
  • Average mass457.996 Da
  • Monoisotopic mass457.224457 Da
  • ChemSpider ID22177260

More details:






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

1-Propanone, 3-(8-chloro-2-ethyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)-1-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]- [ACD/Index Name]
3-(8-Chlor-2-ethyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)-1-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]-1-propanon [German] [ACD/IUPAC Name]
3-(8-Chloro-2-ethyl-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)-1-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]-1-propanone [ACD/IUPAC Name]
3-(8-Chloro-2-éthyl-2,3-dihydro-1,4-benzoxazépin-4(5H)-yl)-1-[4-(3,6-diméthyl-2-pyrazinyl)-1-pipérazinyl]-1-propanone [French] [ACD/IUPAC Name]
8-chloro-4-{3-[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]-3-oxopropyl}-2-ethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 635.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 337.9±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 125.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 26.17
ACD/KOC (pH 5.5): 144.95
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 547.03
ACD/KOC (pH 7.4): 3029.76
Polar Surface Area: 62 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 381.2±3.0 cm3

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