ChemSpider 2D Image | Methyl 6-[4-(2-hydroxybutyl)-1-piperazinyl]-5-(4-morpholinylsulfonyl)nicotinate | C19H30N4O6S

Methyl 6-[4-(2-hydroxybutyl)-1-piperazinyl]-5-(4-morpholinylsulfonyl)nicotinate

  • Molecular FormulaC19H30N4O6S
  • Average mass442.530 Da
  • Monoisotopic mass442.188599 Da
  • ChemSpider ID30230358

More details:

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

3-Pyridinecarboxylic acid, 6-[4-(2-hydroxybutyl)-1-piperazinyl]-5-(4-morpholinylsulfonyl)-, methyl ester [ACD/Index Name]
6-[4-(2-Hydroxybutyl)-1-pipérazinyl]-5-(4-morpholinylsulfonyl)nicotinate de méthyle [French] [ACD/IUPAC Name]
Methyl 6-[4-(2-hydroxybutyl)-1-piperazinyl]-5-(4-morpholinylsulfonyl)nicotinate [ACD/IUPAC Name]
Methyl-6-[4-(2-hydroxybutyl)-1-piperazinyl]-5-(4-morpholinylsulfonyl)nicotinat [German] [ACD/IUPAC Name]
METHYL 6-[4-(2-HYDROXYBUTYL)PIPERAZIN-1-YL]-5-(MORPHOLINE-4-SULFONYL)PYRIDINE-3-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 650.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 347.1±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 110.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.30
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 37.78
Polar Surface Area: 121 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 338.7±3.0 cm3

Click to predict properties on the Chemicalize site


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