ChemSpider 2D Image | [(3R)-3-{[(4-Fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid | C21H21FN2O4S

[(3R)-3-{[(4-Fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid

  • Molecular FormulaC21H21FN2O4S
  • Average mass416.466 Da
  • Monoisotopic mass416.120605 Da
  • ChemSpider ID23244313

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3R)-3-{[(4-Fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid [ACD/IUPAC Name]
[(3R)-3-{[(4-Fluorphenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]essigsäure [German] [ACD/IUPAC Name]
9H-Carbazole-9-acetic acid, 3-[[(4-fluorophenyl)sulfonyl]methylamino]-1,2,3,4-tetrahydro-, (3R)- [ACD/Index Name]
Acide [(3R)-3-{[(4-fluorophényl)sulfonyl](méthyl)amino}-1,2,3,4-tétrahydro-9H-carbazol-9-yl]acétique [French] [ACD/IUPAC Name]
{3-[((R)-4-Fluoro-benzenesulfonyl)-methyl-amino]-1,2,3,4-tetrahydro-carbazol-9-yl}-acetic acid
CHEMBL179036

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

Density: 1.4±0.1 g/cm3
Boiling Point: 639.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.3±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 108.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 29.83
ACD/KOC (pH 5.5): 180.60
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.92
Polar Surface Area: 88 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 294.9±7.0 cm3

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