ChemSpider 2D Image | 1-{(2S)-2-Benzyl-4-[6-(1-naphthyl)-5-(4-pyridinyl)-3-pyridazinyl]-1-piperazinyl}-2-hydroxyethanone | C32H29N5O2

1-{(2S)-2-Benzyl-4-[6-(1-naphthyl)-5-(4-pyridinyl)-3-pyridazinyl]-1-piperazinyl}-2-hydroxyethanone

  • Molecular FormulaC32H29N5O2
  • Average mass515.605 Da
  • Monoisotopic mass515.232117 Da
  • ChemSpider ID23260282

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{(2S)-2-Benzyl-4-[6-(1-naphthyl)-5-(4-pyridinyl)-3-pyridazinyl]-1-piperazinyl}-2-hydroxyethanon [German] [ACD/IUPAC Name]
1-{(2S)-2-Benzyl-4-[6-(1-naphthyl)-5-(4-pyridinyl)-3-pyridazinyl]-1-piperazinyl}-2-hydroxyethanone [ACD/IUPAC Name]
1-{(2S)-2-Benzyl-4-[6-(1-naphtyl)-5-(4-pyridinyl)-3-pyridazinyl]-1-pipérazinyl}-2-hydroxyéthanone [French] [ACD/IUPAC Name]
1-{(2S)-2-benzyl-4-[6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-yl]piperazin-1-yl}-2-hydroxyethanone
Ethanone, 2-hydroxy-1-[(2S)-4-[6-(1-naphthalenyl)-5-(4-pyridinyl)-3-pyridazinyl]-2-(phenylmethyl)-1-piperazinyl]- [ACD/Index Name]
1-[(S)-2-Benzyl-4-(6-naphthalen-1-yl-5-pyridin-4-yl-pyridazin-3-yl)-piperazin-1-yl]-2-hydroxy-ethanone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL363600/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 778.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 424.4±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 151.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 938.62
ACD/KOC (pH 5.5): 4660.73
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 945.05
ACD/KOC (pH 7.4): 4692.68
Polar Surface Area: 82 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 404.2±3.0 cm3

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