Found 1 result

Search term: RRKQYMJDNSVFCG-OAQYLSRUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [(6R)-5-Acetyl-6-(4-cyanophenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydro-1(2H)-pyrimidinyl]acetic acid | C23H18F3N3O4

[(6R)-5-Acetyl-6-(4-cyanophenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydro-1(2H)-pyrimidinyl]acetic acid

  • Molecular FormulaC23H18F3N3O4
  • Average mass457.402 Da
  • Monoisotopic mass457.124939 Da
  • ChemSpider ID59007545

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(6R)-5-Acetyl-6-(4-cyanophenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydro-1(2H)-pyrimidinyl]acetic acid [ACD/IUPAC Name]
[(6R)-5-Acetyl-6-(4-cyanphenyl)-4-methyl-2-oxo-3-[3-(trifluormethyl)phenyl]-3,6-dihydro-1(2H)-pyrimidinyl]essigsäure [German] [ACD/IUPAC Name]
1(2H)-Pyrimidineacetic acid, 5-acetyl-6-(4-cyanophenyl)-3,6-dihydro-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-, (6R)- [ACD/Index Name]
2-[(4r)-4-(4-Cyanophenyl)-5-Ethanoyl-6-Methyl-2-Oxidanylidene-1-[3-(Trifluoromethyl)phenyl]-4h-Pyrimidin-3-Yl]ethanoic Acid
Acide [(6R)-5-acétyl-6-(4-cyanophényl)-4-méthyl-2-oxo-3-[3-(trifluorométhyl)phényl]-3,6-dihydro-1(2H)-pyrimidinyl]acétique [French] [ACD/IUPAC Name]
JJD

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

Density: 1.5±0.1 g/cm3
Boiling Point: 628.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 334.0±31.5 °C
Index of Refraction: 1.618
Molar Refractivity: 109.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 7.76
ACD/KOC (pH 5.5): 61.69
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.06
Polar Surface Area: 102 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 313.1±5.0 cm3

Click to predict properties on the Chemicalize site


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