ChemSpider 2D Image | (1S)-2-Acetyl-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1,2,3,9-tetrahydro-1'H-spiro[beta-carboline-4,4'-piperidine]-1'-carboxamide | C26H29FN4O4

(1S)-2-Acetyl-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1,2,3,9-tetrahydro-1'H-spiro[β-carboline-4,4'-piperidine]-1'-carboxamide

  • Molecular FormulaC26H29FN4O4
  • Average mass480.531 Da
  • Monoisotopic mass480.217285 Da
  • ChemSpider ID98650168

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-2-Acetyl-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1,2,3,9-tetrahydro-1'H-spiro[β-carboline-4,4'-piperidine]-1'-carboxamide [ACD/IUPAC Name]
(1S)-2-Acétyl-N-(2-fluorophényl)-1-(hydroxyméthyl)-7-méthoxy-1,2,3,9-tétrahydro-1'H-spiro[β-carboline-4,4'-piperidine]-1'-carboxamide [French] [ACD/IUPAC Name]
(1S)-2-Acetyl-N-(2-fluorphenyl)-1-(hydroxymethyl)-7-methoxy-1,2,3,9-tetrahydro-1'H-spiro[β-carboline-4,4'-piperidine]-1'-carboxamid [German] [ACD/IUPAC Name]
Spiro[piperidine-4,4'-[4H]pyrido[3,4-b]indole]-1-carboxamide, 2'-acetyl-N-(2-fluorophenyl)-1',2',3',9'-tetrahydro-1'-(hydroxymethyl)-7'-methoxy-, (1'S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 791.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.7±3.0 kJ/mol
Flash Point: 432.4±32.9 °C
Index of Refraction: 1.679
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 75.67
ACD/KOC (pH 5.5): 770.11
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 75.65
ACD/KOC (pH 7.4): 769.87
Polar Surface Area: 98 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 342.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement