ChemSpider 2D Image | 3-{(3S)-1-(2-Fluorophenyl)-6-methoxy-2-oxo-3-[(1,2,3,4-tetrahydro-2-naphthalenylcarbonyl)amino]-2,3-dihydro-1H-indol-3-yl}propanoic acid | C29H27FN2O5

3-{(3S)-1-(2-Fluorophenyl)-6-methoxy-2-oxo-3-[(1,2,3,4-tetrahydro-2-naphthalenylcarbonyl)amino]-2,3-dihydro-1H-indol-3-yl}propanoic acid

  • Molecular FormulaC29H27FN2O5
  • Average mass502.534 Da
  • Monoisotopic mass502.190399 Da
  • ChemSpider ID113474

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1H-Indole-3-propanoic acid, 1-(2-fluorophenyl)-2,3-dihydro-6-methoxy-2-oxo-3-[[(1,2,3,4-tetrahydro-2-naphthalenyl)carbonyl]amino]-, (3S)- [ACD/Index Name]
3-{(3S)-1-(2-Fluorophenyl)-6-methoxy-2-oxo-3-[(1,2,3,4-tetrahydro-2-naphthalenylcarbonyl)amino]-2,3-dihydro-1H-indol-3-yl}propanoic acid [ACD/IUPAC Name]
3-{(3S)-1-(2-Fluorphenyl)-6-methoxy-2-oxo-3-[(1,2,3,4-tetrahydro-2-naphthalinylcarbonyl)amino]-2,3-dihydro-1H-indol-3-yl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{(3S)-1-(2-fluorophényl)-6-méthoxy-2-oxo-3-[(1,2,3,4-tétrahydro-2-naphtalénylcarbonyl)amino]-2,3-dihydro-1H-indol-3-yl}propanoïque [French] [ACD/IUPAC Name]
169042-78-8 [RN]
1H-Indole-3-propanoic acid [ACD/Index Name]
1H-Indole-3-propanoic acid|T0632
3-[(3S)-1-(2-fluorophenyl)-6-methoxy-2-oxo-3-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)indol-3-yl]propanoic acid
T0632

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

T-0632 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 828.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 454.9±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 134.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 46.68
ACD/KOC (pH 5.5): 274.15
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.32
Polar Surface Area: 96 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 362.6±5.0 cm3

Click to predict properties on the Chemicalize site


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