ChemSpider 2D Image | Avacopan | C33H35F4N3O2


  • Molecular FormulaC33H35F4N3O2
  • Average mass581.643 Da
  • Monoisotopic mass581.266541 Da
  • ChemSpider ID52083514
  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-2-[4-(Cyclopentylamino)phenyl]-1-(2-fluor-6-methylbenzoyl)-N-[4-methyl-3-(trifluormethyl)phenyl]-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(2R,3S)-2-[4-(Cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-piperidinecarboxamide [ACD/IUPAC Name]
(2R,3S)-2-[4-(Cyclopentylamino)phényl]-1-(2-fluoro-6-méthylbenzoyl)-N-[4-méthyl-3-(trifluorométhyl)phényl]-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1346623-17-3 [RN]
3-Piperidinecarboxamide, 2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-, (2R,3S)- [ACD/Index Name]
avacopan [French] [INN]
avacopán [Spanish] [INN]
avacopanum [Latin] [INN]

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

10211 [DBID]
O880NM097T [DBID]
  • Miscellaneous
    • Therapeutical Effect:

      To treat severe active anti-neutrophil cytoplasmic autoantibody-associated vasculitis (granulomatosis with polyangiitis and microscopic polyangiitis) in combination with standard therapy, including glucocorticoids FDA Tavneos

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

Density: 1.3±0.1 g/cm3
Boiling Point: 730.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 395.7±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 155.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 6.28
ACD/BCF (pH 5.5): 32000.38
ACD/KOC (pH 5.5): 52410.07
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 46543.04
ACD/KOC (pH 7.4): 76227.98
Polar Surface Area: 61 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 451.8±3.0 cm3

Click to predict properties on the Chemicalize site