ChemSpider 2D Image | (4S)-1-Ethyl-5-(isopropoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydro-2,3-pyridinedicarboxylic acid | C20H23NO6

(4S)-1-Ethyl-5-(isopropoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydro-2,3-pyridinedicarboxylic acid

  • Molecular FormulaC20H23NO6
  • Average mass373.400 Da
  • Monoisotopic mass373.152527 Da
  • ChemSpider ID23201272

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-1-Ethyl-5-(isopropoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydro-2,3-pyridindicarbonsäure [German] [ACD/IUPAC Name]
(4S)-1-Ethyl-5-(isopropoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydro-2,3-pyridinedicarboxylic acid [ACD/IUPAC Name]
(4S)-1-ethyl-6-methyl-4-phenyl-5-[(propan-2-yloxy)carbonyl]-1,4-dihydropyridine-2,3-dicarboxylic acid
2,3,5-Pyridinetricarboxylic acid, 1-ethyl-1,4-dihydro-6-methyl-4-phenyl-, 5-(1-methylethyl) ester, (4S)- [ACD/Index Name]
Acide (4S)-1-éthyl-5-(isopropoxycarbonyl)-6-méthyl-4-phényl-1,4-dihydro-2,3-pyridinedicarboxylique [French] [ACD/IUPAC Name]
(S)-1-Ethyl-6-methyl-4-phenyl-1,4-dihydro-pyridine-2,3,5-tricarboxylic acid 5-isopropyl ester
BAY-W1807
CHEMBL324288
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL324288/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 523.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 270.4±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 96.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 5.25
ACD/KOC (pH 5.5): 42.55
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 293.3±3.0 cm3

Click to predict properties on the Chemicalize site


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