ChemSpider 2D Image | N-[6-({2-[(5-Ethyl-1,3,4-thiadiazolidin-2-yl)amino]-2-oxoethyl}sulfanyl)-3-pyridazinyl]-3-fluorobenzamide | C17H19FN6O2S2

N-[6-({2-[(5-Ethyl-1,3,4-thiadiazolidin-2-yl)amino]-2-oxoethyl}sulfanyl)-3-pyridazinyl]-3-fluorobenzamide

  • Molecular FormulaC17H19FN6O2S2
  • Average mass422.500 Da
  • Monoisotopic mass422.099487 Da
  • ChemSpider ID109976315

More details:

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

Benzamide, N-[6-[[2-[(5-ethyl-1,3,4-thiadiazolidin-2-yl)amino]-2-oxoethyl]thio]-3-pyridazinyl]-3-fluoro- [ACD/Index Name]
N-[6-({2-[(5-Ethyl-1,3,4-thiadiazolidin-2-yl)amino]-2-oxoethyl}sulfanyl)-3-pyridazinyl]-3-fluorbenzamid [German] [ACD/IUPAC Name]
N-[6-({2-[(5-Ethyl-1,3,4-thiadiazolidin-2-yl)amino]-2-oxoethyl}sulfanyl)-3-pyridazinyl]-3-fluorobenzamide [ACD/IUPAC Name]
N-[6-({2-[(5-Éthyl-1,3,4-thiadiazolidin-2-yl)amino]-2-oxoéthyl}sulfanyl)-3-pyridazinyl]-3-fluorobenzamide [French] [ACD/IUPAC 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: 641.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.5±31.5 °C
Index of Refraction: 1.673
Molar Refractivity: 108.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 0.88
ACD/BCF (pH 5.5): 2.41
ACD/KOC (pH 5.5): 55.97
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.11
ACD/KOC (pH 7.4): 95.42
Polar Surface Area: 159 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 74.6±5.0 dyne/cm
Molar Volume: 288.9±5.0 cm3

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