ChemSpider 2D Image | Methyl 1-({(5S)-5-[(6-chloro-9H-beta-carbolin-8-yl)carbamoyl]-2,2-dimethyl-4-morpholinyl}acetyl)-4-piperidinecarboxylate | C27H32ClN5O5

Methyl 1-({(5S)-5-[(6-chloro-9H-β-carbolin-8-yl)carbamoyl]-2,2-dimethyl-4-morpholinyl}acetyl)-4-piperidinecarboxylate

  • Molecular FormulaC27H32ClN5O5
  • Average mass542.026 Da
  • Monoisotopic mass541.209167 Da
  • ChemSpider ID9888337

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(2-{(5S)-5-[(6-Chloro-9H-β-carbolin-8-yl)carbamoyl]-2,2-diméthyl-4-morpholinyl}acétyl)-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[2-[(5S)-5-[[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)amino]carbonyl]-2,2-dimethyl-4-morpholinyl]acetyl]-, methyl ester [ACD/Index Name]
Methyl 1-({(5S)-5-[(6-chloro-9H-β-carbolin-8-yl)carbamoyl]-2,2-dimethyl-4-morpholinyl}acetyl)-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-({(5S)-5-[(6-chlor-9H-β-carbolin-8-yl)carbamoyl]-2,2-dimethyl-4-morpholinyl}acetyl)-4-piperidincarboxylat [German] [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: 787.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 430.3±32.9 °C
Index of Refraction: 1.643
Molar Refractivity: 144.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 8.26
ACD/KOC (pH 5.5): 79.14
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 82.71
ACD/KOC (pH 7.4): 792.30
Polar Surface Area: 117 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 399.7±3.0 cm3

Click to predict properties on the Chemicalize site


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