ChemSpider 2D Image | 3-{(2S)-1-[4-(3-Chlorophenyl)-1-piperazinyl]-3-methyl-1-oxo-2-butanyl}-1,2,3-benzotriazin-4(3H)-one | C22H24ClN5O2

3-{(2S)-1-[4-(3-Chlorophenyl)-1-piperazinyl]-3-methyl-1-oxo-2-butanyl}-1,2,3-benzotriazin-4(3H)-one

  • Molecular FormulaC22H24ClN5O2
  • Average mass425.911 Da
  • Monoisotopic mass425.161865 Da
  • ChemSpider ID21830855
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1,2,3-Benzotriazin-4(3H)-one, 3-[(1S)-1-[[4-(3-chlorophenyl)-1-piperazinyl]carbonyl]-2-methylpropyl]- [ACD/Index Name]
3-{(2S)-1-[4-(3-Chlorophenyl)-1-piperazinyl]-3-methyl-1-oxo-2-butanyl}-1,2,3-benzotriazin-4(3H)-one [ACD/IUPAC Name]
3-{(2S)-1-[4-(3-Chlorophényl)-1-pipérazinyl]-3-méthyl-1-oxo-2-butanyl}-1,2,3-benzotriazin-4(3H)-one [French] [ACD/IUPAC Name]
3-{(2S)-1-[4-(3-Chlorphenyl)-1-piperazinyl]-3-methyl-1-oxo-2-butanyl}-1,2,3-benzotriazin-4(3H)-on [German] [ACD/IUPAC Name]
1173685-54-5 [RN]
3-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2,3-benzotriazin-4-one
3-{(1S)-2-[4-(3-chlorophenyl)piperazinyl]-1-(methylethyl)-2-oxoethyl}benzo[d]1,2,3-triazin-4-one
3-{(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-1,2,3-benzotriazin-4(3H)-one
3-{1-[4-(3-Chloro-phenyl)-piperazine-1-carbonyl]-2-methyl-propyl}-3H-benzo[d][1,2,3]triazin-4-one
AKOS005533925
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 622.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.0±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 117.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 378.49
ACD/KOC (pH 5.5): 2437.49
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 378.60
ACD/KOC (pH 7.4): 2438.18
Polar Surface Area: 69 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 316.4±7.0 cm3

Click to predict properties on the Chemicalize site






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