Found 23 results

Search term: MF = 'C_{18}H_{17}ClF_{2}N_{4}O_{2}S'
ChemSpider 2D Image | 3-[(2-Chlorophenoxy)methyl]-5-(3,4-difluorobenzyl)tetrahydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one | C18H17ClF2N4O2S

3-[(2-Chlorophenoxy)methyl]-5-(3,4-difluorobenzyl)tetrahydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one

  • Molecular FormulaC18H17ClF2N4O2S
  • Average mass426.868 Da
  • Monoisotopic mass426.072876 Da
  • ChemSpider ID109993862

More details:

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

3-[(2-Chlorophenoxy)methyl]-5-(3,4-difluorobenzyl)tetrahydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one [ACD/IUPAC Name]
3-[(2-Chlorophénoxy)méthyl]-5-(3,4-difluorobenzyl)tétrahydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one [French] [ACD/IUPAC Name]
3-[(2-Chlorphenoxy)methyl]-5-(3,4-difluorbenzyl)tetrahydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-on [German] [ACD/IUPAC Name]
5H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one, 3-[(2-chlorophenoxy)methyl]-5-[(3,4-difluorophenyl)methyl]tetrahydro- [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: 567.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 296.9±32.9 °C
Index of Refraction: 1.684
Molar Refractivity: 105.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.12
ACD/KOC (pH 5.5): 321.50
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.19
ACD/KOC (pH 7.4): 350.29
Polar Surface Area: 82 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 277.0±5.0 cm3

Click to predict properties on the Chemicalize site


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