Found 156 results

Search term: MF = 'C_{29}H_{33}N_{5}'
ChemSpider 2D Image | 1-Ethyl-3-{trans-4-[4-(1H-indol-4-yl)-1-piperazinyl]cyclohexyl}-1H-indole-5-carbonitrile | C29H33N5

1-Ethyl-3-{trans-4-[4-(1H-indol-4-yl)-1-piperazinyl]cyclohexyl}-1H-indole-5-carbonitrile

  • Molecular FormulaC29H33N5
  • Average mass451.606 Da
  • Monoisotopic mass451.273590 Da
  • ChemSpider ID23341589

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Ethyl-3-{trans-4-[4-(1H-indol-4-yl)-1-piperazinyl]cyclohexyl}-1H-indol-5-carbonitril [German] [ACD/IUPAC Name]
1-Ethyl-3-{trans-4-[4-(1H-indol-4-yl)-1-piperazinyl]cyclohexyl}-1H-indole-5-carbonitrile [ACD/IUPAC Name]
1-Éthyl-3-{trans-4-[4-(1H-indol-4-yl)-1-pipérazinyl]cyclohexyl}-1H-indole-5-carbonitrile [French] [ACD/IUPAC Name]
1H-Indole-5-carbonitrile, 1-ethyl-3-[trans-4-[4-(1H-indol-4-yl)-1-piperazinyl]cyclohexyl]- [ACD/Index Name]
1-Ethyl-3-{(1,4-trans)-4-[4-(1H-indol-4-yl)-piperazin-1-yl]-cyclohexyl}-1H-indole-5-carbonitrile
1-ethyl-3-{trans-4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl}-1H-indole-5-carbonitrile
CHEMBL481112
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL481112/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.7±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 137.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 47.61
ACD/KOC (pH 5.5): 136.50
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2237.17
ACD/KOC (pH 7.4): 6414.31
Polar Surface Area: 51 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 360.9±7.0 cm3

Click to predict properties on the Chemicalize site


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