ChemSpider 2D Image | 2-[(Isopropylcarbamoyl)amino]-2-oxoethyl [5,7-dimethyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate | C16H22N6O4S

2-[(Isopropylcarbamoyl)amino]-2-oxoethyl [5,7-dimethyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

  • Molecular FormulaC16H22N6O4S
  • Average mass394.449 Da
  • Monoisotopic mass394.142334 Da
  • ChemSpider ID22553529

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine-6-acetic acid, 5,7-dimethyl-2-(methylthio)-, 2-[[[(1-methylethyl)amino]carbonyl]amino]-2-oxoethyl ester [ACD/Index Name]
[5,7-Diméthyl-2-(méthylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acétate de 2-[(isopropylcarbamoyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[(Isopropylcarbamoyl)amino]-2-oxoethyl [5,7-dimethyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate [ACD/IUPAC Name]
2-[(Isopropylcarbamoyl)amino]-2-oxoethyl-[5,7-dimethyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetat [German] [ACD/IUPAC Name]

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: 1.655
Molar Refractivity: 101.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.35
ACD/KOC (pH 5.5): 210.32
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.23
ACD/KOC (pH 7.4): 208.34
Polar Surface Area: 153 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 52.7±7.0 dyne/cm
Molar Volume: 275.9±7.0 cm3

Click to predict properties on the Chemicalize site


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