ChemSpider 2D Image | N-{[4-(4-Phenyl-1-piperidinyl)phenyl]sulfonyl}-L-tryptophan | C28H29N3O4S

N-{[4-(4-Phenyl-1-piperidinyl)phenyl]sulfonyl}-L-tryptophan

  • Molecular FormulaC28H29N3O4S
  • Average mass503.613 Da
  • Monoisotopic mass503.187866 Da
  • ChemSpider ID392613
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L-Tryptophan, N-[[4-(4-phenyl-1-piperidinyl)phenyl]sulfonyl]- [ACD/Index Name]
N-{[4-(4-Phenyl-1-piperidinyl)phenyl]sulfonyl}-L-tryptophan [German] [ACD/IUPAC Name]
N-{[4-(4-Phenyl-1-piperidinyl)phenyl]sulfonyl}-L-tryptophan [ACD/IUPAC Name]
N-{[4-(4-Phényl-1-pipéridinyl)phényl]sulfonyl}-L-tryptophane [French] [ACD/IUPAC Name]
3-(1h-indol-3-yl)-2-[4-(4-phenyl-piperidin-1-yl)-benzenesulfonylamino]-propionic acid
DPS

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 765.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 417.0±35.7 °C
Index of Refraction: 1.667
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 11.47
ACD/KOC (pH 5.5): 40.31
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.48
Polar Surface Area: 111 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 377.6±3.0 cm3

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