ChemSpider 2D Image | 2-(Butylsulfanyl)-7-{3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide | C24H32N6O5S

2-(Butylsulfanyl)-7-{3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

  • Molecular FormulaC24H32N6O5S
  • Average mass516.613 Da
  • Monoisotopic mass516.215515 Da
  • ChemSpider ID12166078

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxamide, 2-(butylthio)-4,7-dihydro-7-[3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-5-methyl- [ACD/Index Name]
2-(Butylsulfanyl)-7-{3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
2-(Butylsulfanyl)-7-{3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl}-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [ACD/IUPAC Name]
2-(Butylsulfanyl)-7-{3-méthoxy-4-[2-(4-morpholinyl)-2-oxoéthoxy]phényl}-5-méthyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
2-(Butylsulfanyl)-7-{3-methoxy-4-[2-(morpholin-4-yl)-2-oxoethoxy]phenyl}-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 792.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 433.3±35.7 °C
Index of Refraction: 1.667
Molar Refractivity: 135.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.51
ACD/KOC (pH 5.5): 302.48
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.51
ACD/KOC (pH 7.4): 302.51
Polar Surface Area: 159 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 362.8±7.0 cm3

Click to predict properties on the Chemicalize site


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