ChemSpider 2D Image | Diethyl (4R)-2-methyl-6-[(Z)-{[(1S)-1-phenylethyl]imino}methyl]-4-(2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate | C25H28N2O4S

Diethyl (4R)-2-methyl-6-[(Z)-{[(1S)-1-phenylethyl]imino}methyl]-4-(2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC25H28N2O4S
  • Average mass452.566 Da
  • Monoisotopic mass452.176971 Da
  • ChemSpider ID30654987

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R)-2-Méthyl-6-[(Z)-{[(1S)-1-phényléthyl]imino}méthyl]-4-(2-thiényl)-1,4-dihydro-3,5-pyridinedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-methyl-6-[(Z)-[[(1S)-1-phenylethyl]imino]methyl]-4-(2-thienyl)-, diethyl ester, (4R)- [ACD/Index Name]
Diethyl (4R)-2-methyl-6-[(Z)-{[(1S)-1-phenylethyl]imino}methyl]-4-(2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Diethyl-(4R)-2-methyl-6-[(Z)-{[(1S)-1-phenylethyl]imino}methyl]-4-(2-thienyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 584.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.5±30.1 °C
Index of Refraction: 1.593
Molar Refractivity: 127.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1153.49
ACD/KOC (pH 5.5): 3577.64
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4746.71
ACD/KOC (pH 7.4): 14722.32
Polar Surface Area: 105 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 377.2±7.0 cm3

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