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Search term: OWAWOKKHZNRHGV-JTQLQIEISA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | compound 20 [PMID: 22136433] | C17H16Cl2N4O

compound 20 [PMID: 22136433]

  • Molecular FormulaC17H16Cl2N4O
  • Average mass363.241 Da
  • Monoisotopic mass362.070129 Da
  • ChemSpider ID28480541

More details:

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

7,8-Dichlor-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[β-carboline-3,4'-piperidine]-4-carbonitril [German] [ACD/IUPAC Name]
7,8-Dichloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[β-carboline-3,4'-piperidine]-4-carbonitrile [ACD/IUPAC Name]
7,8-Dichloro-9-méthyl-1-oxo-1,2,4,9-tétrahydrospiro[β-carboline-3,4'-piperidine]-4-carbonitrile [French] [ACD/IUPAC Name]
compound 20 [PMID: 22136433]
Spiro[piperidine-4,3'-[3H]pyrido[3,4-b]indole]-4'-carbonitrile, 7',8'-dichloro-1',2',4',9'-tetrahydro-9'-methyl-1'-oxo- [ACD/Index Name]
1353572-78-7 [RN]
7',8'-dichloro-9'-methyl-1'-oxo-1',2',4',9'-tetrahydrospiro[piperidine-4,3'-pyrido[3,4-b]indole]-4'-carbonitrile
compound 20 [PMID 22136433]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 684.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.6±31.5 °C
Index of Refraction: 1.745
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.93
Polar Surface Area: 70 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 61.6±7.0 dyne/cm
Molar Volume: 229.6±7.0 cm3

Click to predict properties on the Chemicalize site


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