ChemSpider 2D Image | (4S)-6-Amino-3-[4-(benzyloxy)phenyl]-4-(3-fluorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | C26H19FN4O2

(4S)-6-Amino-3-[4-(benzyloxy)phenyl]-4-(3-fluorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

  • Molecular FormulaC26H19FN4O2
  • Average mass438.453 Da
  • Monoisotopic mass438.149200 Da
  • ChemSpider ID62414339

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-6-Amino-3-[4-(benzyloxy)phenyl]-4-(3-fluorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [ACD/IUPAC Name]
(4S)-6-Amino-3-[4-(benzyloxy)phényl]-4-(3-fluorophényl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [French] [ACD/IUPAC Name]
(4S)-6-Amino-3-[4-(benzyloxy)phenyl]-4-(3-fluorphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-(3-fluorophenyl)-1,4-dihydro-3-[4-(phenylmethoxy)phenyl]-, (4S)- [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: 694.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 373.7±31.5 °C
Index of Refraction: 1.703
Molar Refractivity: 120.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2315.98
ACD/KOC (pH 5.5): 8910.06
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2319.33
ACD/KOC (pH 7.4): 8922.95
Polar Surface Area: 97 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 74.8±5.0 dyne/cm
Molar Volume: 310.4±5.0 cm3

Click to predict properties on the Chemicalize site


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