ChemSpider 2D Image | 1-[4-(4-{5-[(2S)-1-(3,4,5-Trimethoxybenzyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)-1-piperazinyl]ethanone | C27H34N6O5

1-[4-(4-{5-[(2S)-1-(3,4,5-Trimethoxybenzyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)-1-piperazinyl]ethanone

  • Molecular FormulaC27H34N6O5
  • Average mass522.596 Da
  • Monoisotopic mass522.259094 Da
  • ChemSpider ID29857670

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[4-(4-{5-[(2S)-1-(3,4,5-Trimethoxybenzyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)-1-piperazinyl]ethanon [German] [ACD/IUPAC Name]
1-[4-(4-{5-[(2S)-1-(3,4,5-Trimethoxybenzyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)-1-piperazinyl]ethanone [ACD/IUPAC Name]
1-[4-(4-{5-[(2S)-1-(3,4,5-Triméthoxybenzyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-2-pyridinyl)-1-pipérazinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-[4-[5-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 729.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.2±35.7 °C
Index of Refraction: 1.586
Molar Refractivity: 139.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.60
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 8.97
ACD/KOC (pH 7.4): 161.85
Polar Surface Area: 106 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 416.6±3.0 cm3

Click to predict properties on the Chemicalize site


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