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

[1-({(5S)-5-[(6-Chloro-9H-β-carbolin-8-yl)carbamoyl]-2,2-dimethyl-4-morpholinyl}acetyl)-4-piperidinyl]acetic acid

  • Molecular FormulaC27H32ClN5O5
  • Average mass542.026 Da
  • Monoisotopic mass541.209167 Da
  • ChemSpider ID9781082

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[1-({(5S)-5-[(6-Chlor-9H-β-carbolin-8-yl)carbamoyl]-2,2-dimethyl-4-morpholinyl}acetyl)-4-piperidinyl]essigsäure [German] [ACD/IUPAC Name]
[1-({(5S)-5-[(6-Chloro-9H-β-carbolin-8-yl)carbamoyl]-2,2-dimethyl-4-morpholinyl}acetyl)-4-piperidinyl]acetic acid [ACD/IUPAC Name]
4-Piperidineacetic acid, 1-[2-[(5S)-5-[[(6-chloro-9H-pyrido[3,4-b]indol-8-yl)amino]carbonyl]-2,2-dimethyl-4-morpholinyl]acetyl]- [ACD/Index Name]
Acide [1-(2-{(5S)-5-[(6-chloro-9H-β-carbolin-8-yl)carbamoyl]-2,2-diméthyl-4-morpholinyl}acétyl)-4-pipéridinyl]acétique [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: 849.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.4±3.0 kJ/mol
Flash Point: 467.6±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 144.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.13
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.27
Polar Surface Area: 128 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 394.3±3.0 cm3

Click to predict properties on the Chemicalize site


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