ChemSpider 2D Image | (3S)-N-(6-Chloro-9H-beta-carbolin-8-yl)-6,6-dimethyl-4-{(2S)-2-[(2-methylalanyl)amino]propyl}-3-morpholinecarboxamide | C25H33ClN6O3

(3S)-N-(6-Chloro-9H-β-carbolin-8-yl)-6,6-dimethyl-4-{(2S)-2-[(2-methylalanyl)amino]propyl}-3-morpholinecarboxamide

  • Molecular FormulaC25H33ClN6O3
  • Average mass501.021 Da
  • Monoisotopic mass500.230255 Da
  • ChemSpider ID9343060

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-N-(6-Chlor-9H-β-carbolin-8-yl)-6,6-dimethyl-4-{(2S)-2-[(2-methylalanyl)amino]propyl}-3-morpholincarboxamid [German] [ACD/IUPAC Name]
(3S)-N-(6-Chloro-9H-β-carbolin-8-yl)-6,6-dimethyl-4-{(2S)-2-[(2-methylalanyl)amino]propyl}-3-morpholinecarboxamide [ACD/IUPAC Name]
(3S)-N-(6-Chloro-9H-β-carbolin-8-yl)-6,6-diméthyl-4-{(2S)-2-[(2-méthylalanyl)amino]propyl}-3-morpholinecarboxamide [French] [ACD/IUPAC Name]
3-Morpholinecarboxamide, 4-[(2S)-2-[(2-amino-2-methyl-1-oxopropyl)amino]propyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-, (3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 787.5±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: 430.1±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 139.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.81
ACD/LogD (pH 5.5): -1.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 17.98
Polar Surface Area: 125 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 387.4±3.0 cm3

Click to predict properties on the Chemicalize site


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