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Search term: QWJUQXUPQOVZHR-WJOKGBTCSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-(Acetoxymethyl)-3-[(3R)-7-{[1-(dimethylcarbamoyl)-6-(4-fluorophenyl)-1H-indol-3-yl]carbonyl}-1H-pyrrolo[1,2-c][1,3]thiazol-3-yl]pyridinium | C32H28FN4O4S

1-(Acetoxymethyl)-3-[(3R)-7-{[1-(dimethylcarbamoyl)-6-(4-fluorophenyl)-1H-indol-3-yl]carbonyl}-1H-pyrrolo[1,2-c][1,3]thiazol-3-yl]pyridinium

  • Molecular FormulaC32H28FN4O4S
  • Average mass583.652 Da
  • Monoisotopic mass583.180969 Da
  • ChemSpider ID8006238

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(Acetoxymethyl)-3-[(3R)-7-{[1-(dimethylcarbamoyl)-6-(4-fluorophenyl)-1H-indol-3-yl]carbonyl}-1H-pyrrolo[1,2-c][1,3]thiazol-3-yl]pyridinium [ACD/IUPAC Name]
1-(Acétoxyméthyl)-3-[(3R)-7-{[1-(diméthylcarbamoyl)-6-(4-fluorophényl)-1H-indol-3-yl]carbonyl}-1H-pyrrolo[1,2-c][1,3]thiazol-3-yl]pyridinium [French] [ACD/IUPAC Name]
1-(Acetoxymethyl)-3-[(3R)-7-{[1-(dimethylcarbamoyl)-6-(4-fluorphenyl)-1H-indol-3-yl]carbonyl}-1H-pyrrolo[1,2-c][1,3]thiazol-3-yl]pyridinium [German] [ACD/IUPAC Name]
Pyridinium, 1-[(acetyloxy)methyl]-3-[(3R)-7-[[1-[(dimethylamino)carbonyl]-6-(4-fluorophenyl)-1H-indol-3-yl]carbonyl]-1H,3H-pyrrolo[1,2-c]thiazol-3-yl]- [ACD/Index Name]
Abt-299 cation

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.38
ACD/KOC (pH 5.5): 43.71
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.38
ACD/KOC (pH 7.4): 43.71
Polar Surface Area: 103 Å2
Polarizability:
Surface Tension:
Molar Volume:

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