ChemSpider 2D Image | 2-(4-Chlorophenyl)-4-[(3S)-3-piperidinylamino]thieno[2,3-d]pyridazine-7-carboxamide | C18H18ClN5OS

2-(4-Chlorophenyl)-4-[(3S)-3-piperidinylamino]thieno[2,3-d]pyridazine-7-carboxamide

  • Molecular FormulaC18H18ClN5OS
  • Average mass387.886 Da
  • Monoisotopic mass387.092072 Da
  • ChemSpider ID25058704

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(4-Chlorophenyl)-4-[(3S)-3-piperidinylamino]thieno[2,3-d]pyridazine-7-carboxamide [ACD/IUPAC Name]
2-(4-Chlorophényl)-4-[(3S)-3-pipéridinylamino]thiéno[2,3-d]pyridazine-7-carboxamide [French] [ACD/IUPAC Name]
2-(4-Chlorophenyl)-4-[(3s)-Piperidin-3-Ylamino]thieno[2,3-D]pyridazine-7-Carboxamide
2-(4-Chlorphenyl)-4-[(3S)-3-piperidinylamino]thieno[2,3-d]pyridazin-7-carboxamid [German] [ACD/IUPAC Name]
Thieno[2,3-d]pyridazine-7-carboxamide, 2-(4-chlorophenyl)-4-[(3S)-3-piperidinylamino]- [ACD/Index Name]

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

C70 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 745.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.4±32.9 °C
Index of Refraction: 1.707
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 12.22
Polar Surface Area: 121 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 68.1±3.0 dyne/cm
Molar Volume: 273.4±3.0 cm3

Click to predict properties on the Chemicalize site


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