ChemSpider 2D Image | 3-{[4-Amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone | C20H22ClN7OS

3-{[4-Amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone

  • Molecular FormulaC20H22ClN7OS
  • Average mass443.953 Da
  • Monoisotopic mass443.129517 Da
  • ChemSpider ID31464921

More details:

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

1-Propanone, 3-[[4-amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyridinyl)-1-piperazinyl]- [ACD/Index Name]
3-{[4-Amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone [ACD/IUPAC Name]
3-{[4-Amino-5-(3-chlorophényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-pyridinyl)-1-pipérazinyl]-1-propanone [French] [ACD/IUPAC Name]
3-{[4-Amino-5-(3-chlorphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanon [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 742.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 402.6±35.7 °C
Index of Refraction: 1.723
Molar Refractivity: 120.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.46
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 6.68
ACD/KOC (pH 7.4): 66.32
Polar Surface Area: 118 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 63.5±7.0 dyne/cm
Molar Volume: 304.7±7.0 cm3

Click to predict properties on the Chemicalize site


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