ChemSpider 2D Image | 6-Amino-N-[4-(1,4-diazepan-1-ylcarbonyl)phenyl]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridazinecarboxamide | C25H25Cl2FN6O3

6-Amino-N-[4-(1,4-diazepan-1-ylcarbonyl)phenyl]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridazinecarboxamide

  • Molecular FormulaC25H25Cl2FN6O3
  • Average mass547.409 Da
  • Monoisotopic mass546.134949 Da
  • ChemSpider ID76799325

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Pyridazinecarboxamide, 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[(hexahydro-1H-1,4-diazepin-1-yl)carbonyl]phenyl]- [ACD/Index Name]
6-Amino-N-[4-(1,4-diazepan-1-ylcarbonyl)phenyl]-5-[(1R)-1-(2,6-dichlor-3-fluorphenyl)ethoxy]-3-pyridazincarboxamid [German] [ACD/IUPAC Name]
6-Amino-N-[4-(1,4-diazepan-1-ylcarbonyl)phenyl]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridazinecarboxamide [ACD/IUPAC Name]
6-Amino-N-[4-(1,4-diazépan-1-ylcarbonyl)phényl]-5-[(1R)-1-(2,6-dichloro-3-fluorophényl)éthoxy]-3-pyridazinecarboxamide [French] [ACD/IUPAC 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: 714.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.1±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 140.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.41
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 2.31
ACD/KOC (pH 7.4): 18.02
Polar Surface Area: 122 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 386.0±3.0 cm3

Click to predict properties on the Chemicalize site


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