ChemSpider 2D Image | Methyl (8S)-8-(3-fluorobenzyl)-3-[4-(trifluoromethyl)phenyl]-8H-pyrazolo[1,5-a]pyrrolo[3,4-e]pyrimidine-8-carboxylate | C24H16F4N4O2

Methyl (8S)-8-(3-fluorobenzyl)-3-[4-(trifluoromethyl)phenyl]-8H-pyrazolo[1,5-a]pyrrolo[3,4-e]pyrimidine-8-carboxylate

  • Molecular FormulaC24H16F4N4O2
  • Average mass468.403 Da
  • Monoisotopic mass468.120941 Da
  • ChemSpider ID58124994

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8S)-8-(3-Fluorobenzyl)-3-[4-(trifluorométhyl)phényl]-8H-pyrazolo[1,5-a]pyrrolo[3,4-e]pyrimidine-8-carboxylate de méthyle [French] [ACD/IUPAC Name]
8H-Pyrazolo[1,5-a]pyrrolo[3,4-e]pyrimidine-8-carboxylic acid, 8-[(3-fluorophenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-, methyl ester, (8S)- [ACD/Index Name]
Methyl (8S)-8-(3-fluorobenzyl)-3-[4-(trifluoromethyl)phenyl]-8H-pyrazolo[1,5-a]pyrrolo[3,4-e]pyrimidine-8-carboxylate [ACD/IUPAC Name]
Methyl-(8S)-8-(3-fluorbenzyl)-3-[4-(trifluormethyl)phenyl]-8H-pyrazolo[1,5-a]pyrrolo[3,4-e]pyrimidin-8-carboxylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3354793/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 116.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 69 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 326.1±7.0 cm3

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