ChemSpider 2D Image | 7-(3-{[4-(4-Acetyl-1-piperazinyl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-naphthyloxy)propyl]-1-(3-pyridinylmethyl)-1H-indole-2-carboxylic acid | C46H46N6O5

7-(3-{[4-(4-Acetyl-1-piperazinyl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-naphthyloxy)propyl]-1-(3-pyridinylmethyl)-1H-indole-2-carboxylic acid

  • Molecular FormulaC46H46N6O5
  • Average mass762.895 Da
  • Monoisotopic mass762.352966 Da
  • ChemSpider ID58966434

More details:

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

1H-Indole-2-carboxylic acid, 7-[3-[[4-(4-acetyl-1-piperazinyl)phenoxy]methyl]-1,5-dimethyl-1H-pyrazol-4-yl]-3-[3-(1-naphthalenyloxy)propyl]-1-(3-pyridinylmethyl)- [ACD/Index Name]
7-(3-{[4-(4-Acetyl-1-piperazinyl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-naphthyloxy)propyl]-1-(3-pyridinylmethyl)-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
7-(3-{[4-(4-Acetyl-1-piperazinyl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-[3-(1-naphthyloxy)propyl]-1-(3-pyridinylmethyl)-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
Acide 7-(3-{[4-(4-acétyl-1-pipérazinyl)phénoxy]méthyl}-1,5-diméthyl-1H-pyrazol-4-yl)-3-[3-(1-naphtyloxy)propyl]-1-(3-pyridinylméthyl)-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]
7-(3-{[4-(4-Acetylpiperazin-1-Yl)phenoxy]methyl}-1,5-Dimethyl-1h-Pyrazol-4-Yl)-3-{3-[(Naphthalen-1-Yl)oxy]propyl}-1-[(Pyridin-3-Yl)methyl]-1h-Indole-2-Carboxylic Acid
9EA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1019.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.1±3.0 kJ/mol
Flash Point: 570.6±34.3 °C
Index of Refraction: 1.661
Molar Refractivity: 220.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 4705.35
ACD/KOC (pH 5.5): 6710.94
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 158.21
ACD/KOC (pH 7.4): 225.65
Polar Surface Area: 115 Å2
Polarizability: 87.6±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 597.5±7.0 cm3

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