ChemSpider 2D Image | N'-(1,3-Benzodioxol-5-ylmethyl)-N-[3-(1H-imidazol-1-yl)-1,2,4-thiadiazol-5-yl]-N-[(1-methyl-1H-imidazol-4-yl)methyl]-1,3-propanediamine | C21H24N8O2S

N'-(1,3-Benzodioxol-5-ylmethyl)-N-[3-(1H-imidazol-1-yl)-1,2,4-thiadiazol-5-yl]-N-[(1-methyl-1H-imidazol-4-yl)methyl]-1,3-propanediamine

  • Molecular FormulaC21H24N8O2S
  • Average mass452.533 Da
  • Monoisotopic mass452.174286 Da
  • ChemSpider ID28483172

More details:






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

1,3-Propanediamine, N3-(1,3-benzodioxol-5-ylmethyl)-N1-[3-(1H-imidazol-1-yl)-1,2,4-thiadiazol-5-yl]-N1-[(1-methyl-1H-imidazol-4-yl)methyl]- [ACD/Index Name]
N'-(1,3-Benzodioxol-5-ylmethyl)-N-[3-(1H-imidazol-1-yl)-1,2,4-thiadiazol-5-yl]-N-[(1-methyl-1H-imidazol-4-yl)methyl]-1,3-propandiamin [German] [ACD/IUPAC Name]
N'-(1,3-Benzodioxol-5-ylmethyl)-N-[3-(1H-imidazol-1-yl)-1,2,4-thiadiazol-5-yl]-N-[(1-methyl-1H-imidazol-4-yl)methyl]-1,3-propanediamine [ACD/IUPAC Name]
N'-(1,3-Benzodioxol-5-ylméthyl)-N-[3-(1H-imidazol-1-yl)-1,2,4-thiadiazol-5-yl]-N-[(1-méthyl-1H-imidazol-4-yl)méthyl]-1,3-propanediamine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 711.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 384.0±35.7 °C
Index of Refraction: 1.732
Molar Refractivity: 124.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.57
ACD/LogD (pH 5.5): -2.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.75
Polar Surface Area: 123 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 62.5±7.0 dyne/cm
Molar Volume: 310.3±7.0 cm3

Click to predict properties on the Chemicalize site






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