ChemSpider 2D Image | 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea | C21H18N6O4S2

1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea

  • Molecular FormulaC21H18N6O4S2
  • Average mass482.535 Da
  • Monoisotopic mass482.083099 Da
  • ChemSpider ID25984689

More details:

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

1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)harnstoff [German] [ACD/IUPAC Name]
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea [ACD/IUPAC Name]
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(5-{[(8-méthyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)méthyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urée [French] [ACD/IUPAC Name]
Urea, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[5-[[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio]-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-[5-(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-ylmethylsulfanyl)-[1,3,4]thiadiazol-2-yl]-urea
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(5-{[(8-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio}-1,3,4-thiadiazol-2-yl)urea

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.787
Molar Refractivity: 125.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.53
ACD/KOC (pH 5.5): 556.44
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 17.27
ACD/KOC (pH 7.4): 197.96
Polar Surface Area: 172 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 71.3±7.0 dyne/cm
Molar Volume: 297.8±7.0 cm3

Click to predict properties on the Chemicalize site


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