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Search term: NIHBDCADKSUQLK-FQEVSTJZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-(2,6-Difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)-6-methyl-3-[(2S)-2-(methylamino)-3-phenylpropyl]-2,4(1H,3H)-pyrimidinedione | C29H28F3N3O3

1-(2,6-Difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)-6-methyl-3-[(2S)-2-(methylamino)-3-phenylpropyl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC29H28F3N3O3
  • Average mass523.546 Da
  • Monoisotopic mass523.208252 Da
  • ChemSpider ID8159849

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(2,6-Difluorbenzyl)-5-(2-fluor-3-methoxyphenyl)-6-methyl-3-[(2S)-2-(methylamino)-3-phenylpropyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(2,6-Difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)-6-methyl-3-[(2S)-2-(methylamino)-3-phenylpropyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(2,6-Difluorobenzyl)-5-(2-fluoro-3-méthoxyphényl)-6-méthyl-3-[(2S)-2-(méthylamino)-3-phénylpropyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)-6-methyl-3-[(2S)-2-(methylamino)-3-phenylpropyl]pyrimidine-2,4(1H,3H)-dione
2,4(1H,3H)-Pyrimidinedione, 1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methyl-3-[(2S)-2-(methylamino)-3-phenylpropyl]- [ACD/Index Name]
1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-3-((S)-2-methylamino-3-phenyl-propyl)-1H-pyrimidine-2,4-dione
CHEMBL324912
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL324912/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 639.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.4±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 137.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 9.80
ACD/KOC (pH 5.5): 25.09
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 170.44
ACD/KOC (pH 7.4): 436.48
Polar Surface Area: 62 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 410.4±3.0 cm3

Click to predict properties on the Chemicalize site


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