ChemSpider 2D Image | 3-{6-[4-(3-Methoxyphenyl)-1-piperazinyl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide | C28H33N7O2S

3-{6-[4-(3-Methoxyphenyl)-1-piperazinyl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide

  • Molecular FormulaC28H33N7O2S
  • Average mass531.672 Da
  • Monoisotopic mass531.241638 Da
  • ChemSpider ID20354996

More details:

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

1,2,4-Triazolo[4,3-b]pyridazine-3-propanamide, 6-[4-(3-methoxyphenyl)-1-piperazinyl]-N-[2-[4-(methylthio)phenyl]ethyl]- [ACD/Index Name]
3-{6-[4-(3-Methoxyphenyl)-1-piperazinyl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamid [German] [ACD/IUPAC Name]
3-{6-[4-(3-Methoxyphenyl)-1-piperazinyl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide [ACD/IUPAC Name]
3-{6-[4-(3-Méthoxyphényl)-1-pipérazinyl][1,2,4]triazolo[4,3-b]pyridazin-3-yl}-N-{2-[4-(méthylsulfanyl)phényl]éthyl}propanamide [French] [ACD/IUPAC Name]

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: 1.671
Molar Refractivity: 152.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 126.70
ACD/KOC (pH 5.5): 1053.51
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 153.66
ACD/KOC (pH 7.4): 1277.69
Polar Surface Area: 113 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 407.9±7.0 cm3

Click to predict properties on the Chemicalize site


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