ChemSpider 2D Image | 2-[(3s,5s,7s)-Adamantan-1-yl]-4-chloro-5-[(2-chloro-4-methylphenyl)amino]-3(2H)-pyridazinone | C21H23Cl2N3O

2-[(3s,5s,7s)-Adamantan-1-yl]-4-chloro-5-[(2-chloro-4-methylphenyl)amino]-3(2H)-pyridazinone

  • Molecular FormulaC21H23Cl2N3O
  • Average mass404.333 Da
  • Monoisotopic mass403.121826 Da
  • ChemSpider ID62650551

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-[(3s,5s,7s)-Adamantan-1-yl]-4-chlor-5-[(2-chlor-4-methylphenyl)amino]-3(2H)-pyridazinon [German] [ACD/IUPAC Name]
2-[(3s,5s,7s)-Adamantan-1-yl]-4-chloro-5-[(2-chloro-4-methylphenyl)amino]-3(2H)-pyridazinone [ACD/IUPAC Name]
2-[(3s,5s,7s)-Adamantan-1-yl]-4-chloro-5-[(2-chloro-4-méthylphényl)amino]-3(2H)-pyridazinone [French] [ACD/IUPAC Name]
3(2H)-Pyridazinone, 4-chloro-5-[(2-chloro-4-methylphenyl)amino]-2-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index 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: 492.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 251.7±31.5 °C
Index of Refraction: 1.729
Molar Refractivity: 107.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1241.84
ACD/KOC (pH 5.5): 5705.98
ACD/LogD (pH 7.4): 4.37
ACD/BCF (pH 7.4): 1241.84
ACD/KOC (pH 7.4): 5705.98
Polar Surface Area: 45 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 268.6±7.0 cm3

Click to predict properties on the Chemicalize site


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