ChemSpider 2D Image | 2-({2-[2-(3,5-Dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(4-methoxyphenyl)butanamide | C27H29N7O2S

2-({2-[2-(3,5-Dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(4-methoxyphenyl)butanamide

  • Molecular FormulaC27H29N7O2S
  • Average mass515.630 Da
  • Monoisotopic mass515.210327 Da
  • ChemSpider ID3830587

More details:

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

2-({2-[2-(3,5-Dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]chinazolin-5-yl}sulfanyl)-N-(4-methoxyphenyl)butanamid [German] [ACD/IUPAC Name]
2-({2-[2-(3,5-Dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(4-methoxyphenyl)butanamide [ACD/IUPAC Name]
2-({2-[2-(3,5-Diméthyl-1H-pyrazol-4-yl)éthyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(4-méthoxyphényl)butanamide [French] [ACD/IUPAC Name]
Butanamide, 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-(4-methoxyphenyl)- [ACD/Index Name]
2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}thio)-N-(4-methoxyphenyl)butanamide

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: 1.699
Molar Refractivity: 145.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2218.08
ACD/KOC (pH 5.5): 8474.80
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2374.38
ACD/KOC (pH 7.4): 9072.00
Polar Surface Area: 135 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 377.9±7.0 cm3

Click to predict properties on the Chemicalize site


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