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Search term: BJPLGTMYTDRCKD-QFIPXVFZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-Chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]-4-piperidinyl}-L-tryptophanamide | C25H27Cl2N5O

5-Chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]-4-piperidinyl}-L-tryptophanamide

  • Molecular FormulaC25H27Cl2N5O
  • Average mass484.421 Da
  • Monoisotopic mass483.159271 Da
  • ChemSpider ID90634038

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole-3-propanamide, α-amino-5-chloro-N-[1-[(5-chloro-1H-indol-3-yl)methyl]-4-piperidinyl]-, (αS)- [ACD/Index Name]
5-Chlor-N-{1-[(5-chlor-1H-indol-3-yl)methyl]-4-piperidinyl}-L-tryptophanamid [German] [ACD/IUPAC Name]
5-Chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]-4-piperidinyl}-L-tryptophanamide [ACD/IUPAC Name]
5-Chloro-N-{1-[(5-chloro-1H-indol-3-yl)méthyl]-4-pipéridinyl}-L-tryptophaneamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 769.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 419.1±32.9 °C
Index of Refraction: 1.721
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 67.10
ACD/KOC (pH 7.4): 384.62
Polar Surface Area: 90 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 73.8±5.0 dyne/cm
Molar Volume: 341.5±5.0 cm3

Click to predict properties on the Chemicalize site


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