ChemSpider 2D Image | Isopropyl 7-{4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl}-5-methyl-2-(propylsulfanyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate | C26H37N5O5S

Isopropyl 7-{4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl}-5-methyl-2-(propylsulfanyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

  • Molecular FormulaC26H37N5O5S
  • Average mass531.667 Da
  • Monoisotopic mass531.251526 Da
  • ChemSpider ID12165175

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]-4,7-dihydro-5-methyl-2-(propylthio)-, 1-methylethyl ester [ACD/Index Name]
7-{4-[2-(Diéthylamino)-2-oxoéthoxy]-3-méthoxyphényl}-5-méthyl-2-(propylsulfanyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate d'isopropyle [French] [ACD/IUPAC Name]
Isopropyl 7-{4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl}-5-methyl-2-(propylsulfanyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Isopropyl 7-{4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl}-5-methyl-2-(propylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Isopropyl-7-{4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl}-5-methyl-2-(propylsulfanyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-carboxylat [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: 686.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.9±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 144.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1155.24
ACD/KOC (pH 5.5): 5418.11
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1155.36
ACD/KOC (pH 7.4): 5418.66
Polar Surface Area: 133 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 423.2±7.0 cm3

Click to predict properties on the Chemicalize site


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