ChemSpider 2D Image | Ethyl 3-(7-{4-[(4-butylphenyl)sulfonyl]-1-piperazinyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate | C25H34N6O4S

Ethyl 3-(7-{4-[(4-butylphenyl)sulfonyl]-1-piperazinyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate

  • Molecular FormulaC25H34N6O4S
  • Average mass514.640 Da
  • Monoisotopic mass514.236206 Da
  • ChemSpider ID22773203

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-propanoic acid, 7-[4-[(4-butylphenyl)sulfonyl]-1-piperazinyl]-5-methyl-, ethyl ester [ACD/Index Name]
3-(7-{4-[(4-Butylphényl)sulfonyl]-1-pipérazinyl}-5-méthyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-(7-{4-[(4-butylphenyl)sulfonyl]-1-piperazinyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate [ACD/IUPAC Name]
Ethyl-3-(7-{4-[(4-butylphenyl)sulfonyl]-1-piperazinyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoat [German] [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: 1.641
Molar Refractivity: 140.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 134.73
ACD/KOC (pH 5.5): 1156.41
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 137.76
ACD/KOC (pH 7.4): 1182.35
Polar Surface Area: 118 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 52.5±7.0 dyne/cm
Molar Volume: 388.4±7.0 cm3

Click to predict properties on the Chemicalize site


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