ChemSpider 2D Image | Ethyl 5-(benzylamino)-3-(3-chlorophenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate | C22H18ClN3O3S

Ethyl 5-(benzylamino)-3-(3-chlorophenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate

  • Molecular FormulaC22H18ClN3O3S
  • Average mass439.915 Da
  • Monoisotopic mass439.075745 Da
  • ChemSpider ID26996031

More details:

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

5-(Benzylamino)-3-(3-chlorophényl)-4-oxo-3,4-dihydrothiéno[3,4-d]pyridazine-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(benzylamino)-3-(3-chlorophenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate [ACD/IUPAC Name]
Ethyl-5-(benzylamino)-3-(3-chlorphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazin-1-carboxylat [German] [ACD/IUPAC Name]
Thieno[3,4-d]pyridazine-1-carboxylic acid, 3-(3-chlorophenyl)-3,4-dihydro-4-oxo-5-[(phenylmethyl)amino]-, ethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 626.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.5±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 119.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4784.18
ACD/KOC (pH 5.5): 14983.01
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4784.18
ACD/KOC (pH 7.4): 14983.01
Polar Surface Area: 99 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 316.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement