ChemSpider 2D Image | N-(2-Ethoxyphenyl)-2-(ethylsulfanyl)-7-[4-(hexyloxy)-3-methoxyphenyl]-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide | C30H39N5O4S

N-(2-Ethoxyphenyl)-2-(ethylsulfanyl)-7-[4-(hexyloxy)-3-methoxyphenyl]-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

  • Molecular FormulaC30H39N5O4S
  • Average mass565.727 Da
  • Monoisotopic mass565.272278 Da
  • ChemSpider ID12179032

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxamide, N-(2-ethoxyphenyl)-2-(ethylthio)-7-[4-(hexyloxy)-3-methoxyphenyl]-4,7-dihydro-5-methyl- [ACD/Index Name]
N-(2-Ethoxyphenyl)-2-(ethylsulfanyl)-7-[4-(hexyloxy)-3-methoxyphenyl]-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
N-(2-Ethoxyphenyl)-2-(ethylsulfanyl)-7-[4-(hexyloxy)-3-methoxyphenyl]-5-methyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [ACD/IUPAC Name]
N-(2-Éthoxyphényl)-2-(éthylsulfanyl)-7-[4-(hexyloxy)-3-méthoxyphényl]-5-méthyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
N-(2-Ethoxyphenyl)-2-(ethylsulfanyl)-7-[4-(hexyloxy)-3-methoxyphenyl]-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: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 158.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.27
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 206187.08
ACD/KOC (pH 5.5): 221559.05
ACD/LogD (pH 7.4): 7.30
ACD/BCF (pH 7.4): 206244.36
ACD/KOC (pH 7.4): 221620.61
Polar Surface Area: 125 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 457.2±7.0 cm3

Click to predict properties on the Chemicalize site


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