ChemSpider 2D Image | 4-[(1R,2R)-2-{[(5-Fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]butanoic acid | C22H21FN2O3

4-[(1R,2R)-2-{[(5-Fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]butanoic acid

  • Molecular FormulaC22H21FN2O3
  • Average mass380.412 Da
  • Monoisotopic mass380.153625 Da
  • ChemSpider ID25058562

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indene-1-butanoic acid, 2-[[(5-fluoro-1H-indol-2-yl)carbonyl]amino]-2,3-dihydro-, (1R,2R)- [ACD/Index Name]
4-[(1R,2R)-2-{[(5-Fluor-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]butansäure [German] [ACD/IUPAC Name]
4-[(1R,2R)-2-{[(5-Fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-1-yl]butanoic acid [ACD/IUPAC Name]
Acide 4-[(1R,2R)-2-{[(5-fluoro-1H-indol-2-yl)carbonyl]amino}-2,3-dihydro-1H-indén-1-yl]butanoïque [French] [ACD/IUPAC Name]
IPX

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

Density: 1.4±0.1 g/cm3
Boiling Point: 691.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 372.2±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 103.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 69.44
ACD/KOC (pH 5.5): 433.84
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 6.98
Polar Surface Area: 82 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 279.3±5.0 cm3

Click to predict properties on the Chemicalize site


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