ChemSpider 2D Image | (2S)-N~1~-(1-Carbamoyl-6-hydroxy-1H-indol-3-yl)-N~2~-[3-(trifluoromethoxy)phenyl]-1,2-pyrrolidinedicarboxamide | C22H20F3N5O5

(2S)-N1-(1-Carbamoyl-6-hydroxy-1H-indol-3-yl)-N2-[3-(trifluoromethoxy)phenyl]-1,2-pyrrolidinedicarboxamide

  • Molecular FormulaC22H20F3N5O5
  • Average mass491.420 Da
  • Monoisotopic mass491.141663 Da
  • ChemSpider ID58942800

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-N1-(1-Carbamoyl-6-hydroxy-1H-indol-3-yl)-N2-[3-(trifluormethoxy)phenyl]-1,2-pyrrolidindicarboxamid [German] [ACD/IUPAC Name]
(2S)-N1-(1-Carbamoyl-6-hydroxy-1H-indol-3-yl)-N2-[3-(trifluoromethoxy)phenyl]-1,2-pyrrolidinedicarboxamide [ACD/IUPAC Name]
(2S)-N1-(1-Carbamoyl-6-hydroxy-1H-indol-3-yl)-N2-[3-(trifluorométhoxy)phényl]-1,2-pyrrolidinedicarboxamide [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxamide, N1-[1-(aminocarbonyl)-6-hydroxy-1H-indol-3-yl]-N2-[3-(trifluoromethoxy)phenyl]-, (2S)- [ACD/Index Name]

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: 1.662
Molar Refractivity: 114.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.70
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.27
ACD/KOC (pH 5.5): 209.35
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.15
ACD/KOC (pH 7.4): 207.30
Polar Surface Area: 139 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 309.7±7.0 cm3

Click to predict properties on the Chemicalize site


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