ChemSpider 2D Image | Ethyl (4R)-5-isopropoxy-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate | C22H23F3N2O3

Ethyl (4R)-5-isopropoxy-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate

  • Molecular FormulaC22H23F3N2O3
  • Average mass420.425 Da
  • Monoisotopic mass420.166077 Da
  • ChemSpider ID88297354

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-5-Isopropoxy-2-méthyl-4-[2-(trifluorométhyl)phényl]-1,4-dihydro-1,6-naphtyridine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1,6-Naphthyridine-3-carboxylic acid, 1,4-dihydro-2-methyl-5-(1-methylethoxy)-4-[2-(trifluoromethyl)phenyl]-, ethyl ester, (4R)- [ACD/Index Name]
Ethyl (4R)-5-isopropoxy-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate [ACD/IUPAC Name]
Ethyl-(4R)-5-isopropoxy-2-methyl-4-[2-(trifluormethyl)phenyl]-1,4-dihydro-1,6-naphthyridin-3-carboxylat [German] [ACD/IUPAC Name]
(4R)-1,4-Dihydro-5-isopropyloxy-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid ethyl ester
126661-07-2 [RN]
ethyl (4R)-2-methyl-5-propan-2-yloxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate

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

CI 951 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 454.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 228.4±28.7 °C
Index of Refraction: 1.523
Molar Refractivity: 105.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 2694.41
ACD/KOC (pH 5.5): 6345.87
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12431.70
ACD/KOC (pH 7.4): 29279.09
Polar Surface Area: 60 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 344.0±3.0 cm3

Click to predict properties on the Chemicalize site


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