ChemSpider 2D Image | 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}-6a,7a-dihydrooxireno[c][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one | C19H22ClN5O2

2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}-6a,7a-dihydrooxireno[c][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

  • Molecular FormulaC19H22ClN5O2
  • Average mass387.863 Da
  • Monoisotopic mass387.146210 Da
  • ChemSpider ID35031839

More details:

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

2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}-6a,7a-dihydrooxireno[c][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [ACD/IUPAC Name]
2-{3-[4-(3-Chlorophényl)-1-pipérazinyl]propyl}-6a,7a-dihydrooxiréno[c][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one [French] [ACD/IUPAC Name]
2-{3-[4-(3-Chlorphenyl)-1-piperazinyl]propyl}-6a,7a-dihydrooxireno[c][1,2,4]triazolo[4,3-a]pyridin-3(2H)-on [German] [ACD/IUPAC Name]
Oxireno[c]-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one, 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-6a,7a-dihydro- [ACD/Index Name]
9-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-3-oxa-7,9,10-triazatricyclo[5.3.0.0�,4]deca-1(10),5-dien-8-one
triazolopyridinone epoxide

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 548.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 285.7±32.9 °C
Index of Refraction: 1.736
Molar Refractivity: 103.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.32
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.26
ACD/KOC (pH 7.4): 87.50
Polar Surface Area: 55 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 63.2±7.0 dyne/cm
Molar Volume: 256.7±7.0 cm3

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