ChemSpider 2D Image | 4-Chloro-5-(spiro[1,3-benzodioxole-2,1'-cyclopentan]-5-ylamino)-2-[5-(trifluoromethyl)-2-pyridinyl]-3(2H)-pyridazinone | C21H16ClF3N4O3

4-Chloro-5-(spiro[1,3-benzodioxole-2,1'-cyclopentan]-5-ylamino)-2-[5-(trifluoromethyl)-2-pyridinyl]-3(2H)-pyridazinone

  • Molecular FormulaC21H16ClF3N4O3
  • Average mass464.825 Da
  • Monoisotopic mass464.086304 Da
  • ChemSpider ID21656571

More details:

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

3(2H)-Pyridazinone, 4-chloro-5-(spiro[1,3-benzodioxole-2,1'-cyclopentan]-5-ylamino)-2-[5-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]
4-Chlor-5-(spiro[1,3-benzodioxole-2,1'-cyclopentan]-5-ylamino)-2-[5-(trifluormethyl)-2-pyridinyl]-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
4-Chloro-5-(spiro[1,3-benzodioxole-2,1'-cyclopentan]-5-ylamino)-2-[5-(trifluoromethyl)-2-pyridinyl]-3(2H)-pyridazinone [ACD/IUPAC Name]
4-Chloro-5-(spiro[1,3-benzodioxole-2,1'-cyclopentan]-5-ylamino)-2-[5-(trifluorométhyl)-2-pyridinyl]-3(2H)-pyridazinone [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 543.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.4±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 108.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 161.09
ACD/KOC (pH 5.5): 1322.58
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 161.09
ACD/KOC (pH 7.4): 1322.61
Polar Surface Area: 76 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 291.7±7.0 cm3

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