ChemSpider 2D Image | N,N-Diethyl-3-[4-(4-fluorophenyl)-1-piperazinyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide | C27H29FN4O4S

N,N-Diethyl-3-[4-(4-fluorophenyl)-1-piperazinyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

  • Molecular FormulaC27H29FN4O4S
  • Average mass524.607 Da
  • Monoisotopic mass524.189331 Da
  • ChemSpider ID29195072

More details:

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

Dibenz[b,f][1,4]oxazepine-2-sulfonamide, N,N-diethyl-3-[4-(4-fluorophenyl)-1-piperazinyl]-10,11-dihydro-11-oxo- [ACD/Index Name]
N,N-Diethyl-3-[4-(4-fluorophenyl)-1-piperazinyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide [ACD/IUPAC Name]
N,N-Diéthyl-3-[4-(4-fluorophényl)-1-pipérazinyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazépine-2-sulfonamide [French] [ACD/IUPAC Name]
N,N-Diethyl-3-[4-(4-fluorphenyl)-1-piperazinyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepin-2-sulfonamid [German] [ACD/IUPAC Name]
N,N-diethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]oxazepine-2-sulfonamide

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: 1.621
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 429.06
ACD/KOC (pH 5.5): 2229.07
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 797.22
ACD/KOC (pH 7.4): 4141.77
Polar Surface Area: 91 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 397.7±3.0 cm3

Click to predict properties on the Chemicalize site


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