Found 1 result

Search term: PFNAXJGGZUYQGP-XIKOKIGWSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S,4R)-N~1~-(1-Carbamoyl-1H-indol-3-yl)-4-fluoro-N~2~-[3-(trifluoromethoxy)phenyl]-1,2-pyrrolidinedicarboxamide | C22H19F4N5O4

(2S,4R)-N1-(1-Carbamoyl-1H-indol-3-yl)-4-fluoro-N2-[3-(trifluoromethoxy)phenyl]-1,2-pyrrolidinedicarboxamide

  • Molecular FormulaC22H19F4N5O4
  • Average mass493.411 Da
  • Monoisotopic mass493.137329 Da
  • ChemSpider ID58952916

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4R)-N1-(1-Carbamoyl-1H-indol-3-yl)-4-fluor-N2-[3-(trifluormethoxy)phenyl]-1,2-pyrrolidindicarboxamid [German] [ACD/IUPAC Name]
(2S,4R)-N1-(1-Carbamoyl-1H-indol-3-yl)-4-fluoro-N2-[3-(trifluoromethoxy)phenyl]-1,2-pyrrolidinedicarboxamide [ACD/IUPAC Name]
(2S,4R)-N1-(1-Carbamoyl-1H-indol-3-yl)-4-fluoro-N2-[3-(trifluorométhoxy)phényl]-1,2-pyrrolidinedicarboxamide [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxamide, N1-[1-(aminocarbonyl)-1H-indol-3-yl]-4-fluoro-N2-[3-(trifluoromethoxy)phenyl]-, (2S,4R)- [ACD/Index Name]
(2{s},4{r})-{n}1-(1-Aminocarbonylindol-3-Yl)-4-Fluoranyl-{n}2-[3-(Trifluoromethyloxy)phenyl]pyrrolidine-1,2-Dicarboxamide
8S5

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 113.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.34
ACD/KOC (pH 5.5): 390.82
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.34
ACD/KOC (pH 7.4): 390.82
Polar Surface Area: 119 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 315.3±7.0 cm3

Click to predict properties on the Chemicalize site


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