ChemSpider 2D Image | 1-[(2S)-5-(4-Amino-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethanone | C20H23N3O5

1-[(2S)-5-(4-Amino-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethanone

  • Molecular FormulaC20H23N3O5
  • Average mass385.414 Da
  • Monoisotopic mass385.163757 Da
  • ChemSpider ID34988491

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(2S)-5-(4-Amino-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethanon [German] [ACD/IUPAC Name]
1-[(2S)-5-(4-Amino-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethanone [ACD/IUPAC Name]
1-[(2S)-5-(4-Amino-3-méthylphényl)-2-(3,4,5-triméthoxyphényl)-1,3,4-oxadiazol-3(2H)-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(2S)-5-(4-amino-3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl]- [ACD/Index Name]
343346-07-6 [RN]
A-105972
UNII-9B1B8HD569

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

Density: 1.3±0.1 g/cm3
Boiling Point: 526.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.4±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 101.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.32
ACD/KOC (pH 5.5): 171.59
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.41
ACD/KOC (pH 7.4): 173.25
Polar Surface Area: 96 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 300.1±7.0 cm3

Click to predict properties on the Chemicalize site


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