ChemSpider 2D Image | (4R)-6-Amino-4-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | C29H24ClFN4O4

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

  • Molecular FormulaC29H24ClFN4O4
  • Average mass546.977 Da
  • Monoisotopic mass546.147034 Da
  • ChemSpider ID896576

  • 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-chlor-6-fluorbenzyl)oxy]phenyl}-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
(4R)-6-Amino-4-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile [ACD/IUPAC Name]
(4R)-6-Amino-4-{4-[(2-chloro-6-fluorobenzyl)oxy]phényl}-3-(4-éthoxy-3-méthoxyphényl)-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-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-, (4R)- [ACD/Index Name]

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

ZINC00718519 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 746.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.0±32.9 °C
Index of Refraction: 1.672
Molar Refractivity: 142.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3483.11
ACD/KOC (pH 5.5): 11937.62
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3482.91
ACD/KOC (pH 7.4): 11936.92
Polar Surface Area: 115 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 71.8±5.0 dyne/cm
Molar Volume: 380.3±5.0 cm3

Click to predict properties on the Chemicalize site


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