ChemSpider 2D Image | [6-(4-Chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]{4-[3-(dimethylamino)benzoyl]-1-piperazinyl}methanone | C25H27ClN6O3

[6-(4-Chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]{4-[3-(dimethylamino)benzoyl]-1-piperazinyl}methanone

  • Molecular FormulaC25H27ClN6O3
  • Average mass494.973 Da
  • Monoisotopic mass494.183319 Da
  • ChemSpider ID34267983

More details:

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

[6-(4-Chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]{4-[3-(dimethylamino)benzoyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
[6-(4-Chlorophényl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]{4-[3-(diméthylamino)benzoyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
[6-(4-Chlorphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]{4-[3-(dimethylamino)benzoyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
Methanone, [6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl][4-[3-(dimethylamino)benzoyl]-1-piperazinyl]- [ACD/Index Name]
[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]{4-[3-(dimethylamino)benzoyl]piperazino}methanone
{3-[(4-{[6-(4-chlorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-3-yl]carbonyl}piperazin-1-yl)carbonyl]phenyl}dimethylamine
1574612-45-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 766.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 417.1±35.7 °C
Index of Refraction: 1.685
Molar Refractivity: 134.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.18
ACD/KOC (pH 5.5): 140.07
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.66
ACD/KOC (pH 7.4): 149.40
Polar Surface Area: 84 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 353.2±7.0 cm3

Click to predict properties on the Chemicalize site


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