ChemSpider 2D Image | UR-12 | C26H37N3O3

UR-12

  • Molecular FormulaC26H37N3O3
  • Average mass439.590 Da
  • Monoisotopic mass439.283478 Da
  • ChemSpider ID26286811
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(N-[(S)-fenchyl]-1-[2-(morpholin-4-yl)ethyl]-7-methoxyindole-3-carboxamide
1H-Indole-3-carboxamide, 7-methoxy-1-[2-(4-morpholinyl)ethyl]-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]- [ACD/Index Name]
501926-82-5 [RN]
7-methoxy-1-(2-morpholinoethyl)-N-((1S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl)-1H-indole-3-carboxamide
7-Methoxy-1-[2-(4-morpholinyl)ethyl]-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-indol-3-carboxamid [German] [ACD/IUPAC Name]
7-Methoxy-1-[2-(4-morpholinyl)ethyl]-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-indole-3-carboxamide [ACD/IUPAC Name]
7-Méthoxy-1-[2-(4-morpholinyl)éthyl]-N-[(1S,2S,4R)-1,3,3-triméthylbicyclo[2.2.1]hept-2-yl]-1H-indole-3-carboxamide [French] [ACD/IUPAC Name]
8WXU5YRE25
UR-12 [Wiki]
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1R,3S,4S)-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 631.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.9±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 124.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 7.17
ACD/KOC (pH 5.5): 53.34
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 163.16
ACD/KOC (pH 7.4): 1213.70
Polar Surface Area: 56 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 352.0±7.0 cm3

Click to predict properties on the Chemicalize site





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