ChemSpider 2D Image | N-[(3Z)-6-[4-(5-Imino-1,3,4-thiadiazolidin-2-yl)butyl]tetrahydro-3(2H)-pyridazinylidene]-2-[3-(trifluoromethoxy)phenyl]acetamide | C19H25F3N6O2S

N-[(3Z)-6-[4-(5-Imino-1,3,4-thiadiazolidin-2-yl)butyl]tetrahydro-3(2H)-pyridazinylidene]-2-[3-(trifluoromethoxy)phenyl]acetamide

  • Molecular FormulaC19H25F3N6O2S
  • Average mass458.501 Da
  • Monoisotopic mass458.171173 Da
  • ChemSpider ID113393976

More details:






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

Benzeneacetamide, N-[(3Z)-tetrahydro-6-[4-(5-imino-1,3,4-thiadiazolidin-2-yl)butyl]-3(2H)-pyridazinylidene]-3-(trifluoromethoxy)- [ACD/Index Name]
N-[(3Z)-6-[4-(5-Imino-1,3,4-thiadiazolidin-2-yl)butyl]tetrahydro-3(2H)-pyridazinyliden]-2-[3-(trifluormethoxy)phenyl]acetamid [German] [ACD/IUPAC Name]
N-[(3Z)-6-[4-(5-Imino-1,3,4-thiadiazolidin-2-yl)butyl]tetrahydro-3(2H)-pyridazinylidene]-2-[3-(trifluoromethoxy)phenyl]acetamide [ACD/IUPAC Name]
N-[(3Z)-6-[4-(5-Imino-1,3,4-thiadiazolidin-2-yl)butyl]tétrahydro-3(2H)-pyridazinylidène]-2-[3-(trifluorométhoxy)phényl]acétamide [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: 527.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.6±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 109.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 14.04
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 24.73
ACD/KOC (pH 7.4): 299.81
Polar Surface Area: 136 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 305.4±7.0 cm3

Click to predict properties on the Chemicalize site






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