ChemSpider 2D Image | (1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide | C26H31FN4O5S

(1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide

  • Molecular FormulaC26H31FN4O5S
  • Average mass530.612 Da
  • Monoisotopic mass530.199890 Da
  • ChemSpider ID58160107

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-N-(3-Fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(methylsulfonyl)-1,2,3,9-tetrahydro-1'H-spiro[β-carboline-4,4'-piperidine]-1'-carboxamide [ACD/IUPAC Name]
(1S)-N-(3-Fluorophényl)-1-(hydroxyméthyl)-7-méthoxy-9-méthyl-2-(méthylsulfonyl)-1,2,3,9-tétrahydro-1'H-spiro[β-carboline-4,4'-piperidine]-1'-carboxamide [French] [ACD/IUPAC Name]
(1S)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-methylsulfonyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
(1S)-N-(3-Fluorphenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(methylsulfonyl)-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, N-(3-fluorophenyl)-1',2',3',9'-tetrahydro-1'-(hydroxymethyl)-7'-methoxy-9'-methyl-2'-(methylsulfonyl)-, (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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.659
Molar Refractivity: 137.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 215.54
ACD/KOC (pH 5.5): 1629.10
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.51
ACD/KOC (pH 7.4): 1628.84
Polar Surface Area: 112 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 372.1±7.0 cm3

Click to predict properties on the Chemicalize site


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