Found 250 results

Search term: MF = 'C_{29}H_{34}ClFN_{4}O_{2}'
ChemSpider 2D Image | (1R)-1-(4-Chlorophenoxy)-9-{[(3R,4S)-3-fluoro-4-piperidinyl]methyl}-3-(4-methyl-1-piperazinyl)-1,2,3,9-tetrahydro-4H-carbazol-4-one | C29H34ClFN4O2

(1R)-1-(4-Chlorophenoxy)-9-{[(3R,4S)-3-fluoro-4-piperidinyl]methyl}-3-(4-methyl-1-piperazinyl)-1,2,3,9-tetrahydro-4H-carbazol-4-one

  • Molecular FormulaC29H34ClFN4O2
  • Average mass525.057 Da
  • Monoisotopic mass524.235413 Da
  • ChemSpider ID23268002

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R)-1-(4-Chlorophenoxy)-9-{[(3R,4S)-3-fluoro-4-piperidinyl]methyl}-3-(4-methyl-1-piperazinyl)-1,2,3,9-tetrahydro-4H-carbazol-4-one [ACD/IUPAC Name]
(1R)-1-(4-Chlorophénoxy)-9-{[(3R,4S)-3-fluoro-4-pipéridinyl]méthyl}-3-(4-méthyl-1-pipérazinyl)-1,2,3,9-tétrahydro-4H-carbazol-4-one [French] [ACD/IUPAC Name]
(1R)-1-(4-chlorophenoxy)-9-{[(3R,4S)-3-fluoropiperidin-4-yl]methyl}-3-(4-methylpiperazin-1-yl)-1,2,3,9-tetrahydro-4H-carbazol-4-one
(1R)-1-(4-Chlorphenoxy)-9-{[(3R,4S)-3-fluor-4-piperidinyl]methyl}-3-(4-methyl-1-piperazinyl)-1,2,3,9-tetrahydro-4H-carbazol-4-on [German] [ACD/IUPAC Name]
4H-Carbazol-4-one, 1-(4-chlorophenoxy)-9-[[(3R,4S)-3-fluoro-4-piperidinyl]methyl]-1,2,3,9-tetrahydro-3-(4-methyl-1-piperazinyl)-, (1R)- [ACD/Index Name]
(1R)-1-(4-chlorophenoxy)-9-(((3R,4S)-3-fluoropiperidin-4-yl)methyl)-3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-carbazol-4(9H)-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL382355/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 678.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.3±31.5 °C
Index of Refraction: 1.673
Molar Refractivity: 142.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.57
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 2.84
ACD/KOC (pH 7.4): 19.64
Polar Surface Area: 50 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 379.9±7.0 cm3

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