ChemSpider 2D Image | 6-(3,5-Dinitrophenyl)-3-(4-morpholinylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole | C14H13N7O5S

6-(3,5-Dinitrophenyl)-3-(4-morpholinylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

  • Molecular FormulaC14H13N7O5S
  • Average mass391.362 Da
  • Monoisotopic mass391.069885 Da
  • ChemSpider ID29844286

More details:






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

1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-(3,5-dinitrophenyl)-3-(4-morpholinylmethyl)- [ACD/Index Name]
6-(3,5-Dinitrophenyl)-3-(4-morpholinylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol [German] [ACD/IUPAC Name]
6-(3,5-Dinitrophenyl)-3-(4-morpholinylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [ACD/IUPAC Name]
6-(3,5-Dinitrophényl)-3-(4-morpholinylméthyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole [French] [ACD/IUPAC Name]
4-{[6-(3,5-dinitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}morpholine
6-(3,5-dinitrophenyl)-3-(morpholin-4-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.851
Molar Refractivity: 94.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 12.86
ACD/KOC (pH 5.5): 212.36
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.78
ACD/KOC (pH 7.4): 227.49
Polar Surface Area: 175 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 96.8±7.0 dyne/cm
Molar Volume: 211.3±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement