ChemSpider 2D Image | 6-({4-Cyclohexyl-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)tetrazolo[1,5-b]pyridazine | C22H26N8S

6-({4-Cyclohexyl-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)tetrazolo[1,5-b]pyridazine

  • Molecular FormulaC22H26N8S
  • Average mass434.560 Da
  • Monoisotopic mass434.200104 Da
  • ChemSpider ID22441722

More details:

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

6-({4-Cyclohexyl-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)tetrazolo[1,5-b]pyridazin [German] [ACD/IUPAC Name]
6-({4-Cyclohexyl-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)tetrazolo[1,5-b]pyridazine [ACD/IUPAC Name]
6-({4-Cyclohexyl-5-[4-(2-méthyl-2-propanyl)phényl]-4H-1,2,4-triazol-3-yl}sulfanyl)tétrazolo[1,5-b]pyridazine [French] [ACD/IUPAC Name]
Tetrazolo[1,5-b]pyridazine, 6-[[4-cyclohexyl-5-[4-(1,1-dimethylethyl)phenyl]-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.738
Molar Refractivity: 125.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2603.35
ACD/KOC (pH 5.5): 9692.44
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2603.35
ACD/KOC (pH 7.4): 9692.46
Polar Surface Area: 112 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 311.0±7.0 cm3

Click to predict properties on the Chemicalize site


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