ChemSpider 2D Image | (4R)-6-Amino-4-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | C24H23FN4O3

(4R)-6-Amino-4-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

  • Molecular FormulaC24H23FN4O3
  • Average mass434.463 Da
  • Monoisotopic mass434.175415 Da
  • ChemSpider ID62469173

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-6-Amino-4-{4-[(2-fluorbenzyl)oxy]-3-methoxyphenyl}-3-propyl-1,4-dihydropyrano[2,3-c]pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
(4R)-6-Amino-4-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [ACD/IUPAC Name]
(4R)-6-Amino-4-{4-[(2-fluorobenzyl)oxy]-3-méthoxyphényl}-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [French] [ACD/IUPAC Name]
(4S)-6-Amino-4-{4-[(2-fluorbenzyl)oxy]-3-methoxyphenyl}-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
(4S)-6-Amino-4-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [ACD/IUPAC Name]
(4S)-6-Amino-4-{4-[(2-fluorobenzyl)oxy]-3-méthoxyphényl}-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [French] [ACD/IUPAC Name]
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4-dihydro-3-propyl-, (4R)- [ACD/Index Name]
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-2,4-dihydro-3-propyl-, (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: 651.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.9±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 115.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 609.14
ACD/KOC (pH 5.5): 3426.49
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 609.41
ACD/KOC (pH 7.4): 3427.96
Polar Surface Area: 106 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 66.1±5.0 dyne/cm
Molar Volume: 321.8±5.0 cm3

Click to predict properties on the Chemicalize site


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