ChemSpider 2D Image | 1,1'-(4-Methyl-1,3-phenylene)bis[3-(5-benzyl-1,3,4-thiadiazol-2-yl)urea] | C27H24N8O2S2

1,1'-(4-Methyl-1,3-phenylene)bis[3-(5-benzyl-1,3,4-thiadiazol-2-yl)urea]

  • Molecular FormulaC27H24N8O2S2
  • Average mass556.662 Da
  • Monoisotopic mass556.146362 Da
  • ChemSpider ID487650

More details:

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

1,1'-(4-Methyl-1,3-phenylen)bis[3-(5-benzyl-1,3,4-thiadiazol-2-yl)harnstoff] [German] [ACD/IUPAC Name]
1,1'-(4-Methyl-1,3-phenylene)bis[3-(5-benzyl-1,3,4-thiadiazol-2-yl)urea] [ACD/IUPAC Name]
1,1'-(4-Méthyl-1,3-phénylène)bis[3-(5-benzyl-1,3,4-thiadiazol-2-yl)urée] [French] [ACD/IUPAC Name]
Urea, N,N''-(4-methyl-1,3-phenylene)bis[N'-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.768
Molar Refractivity: 156.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2761.13
ACD/KOC (pH 5.5): 10050.39
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 619.57
ACD/KOC (pH 7.4): 2255.22
Polar Surface Area: 190 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 79.5±3.0 dyne/cm
Molar Volume: 377.2±3.0 cm3

Click to predict properties on the Chemicalize site


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