ChemSpider 2D Image | Methyl 2-({[3-(4-morpholinyl)tetrahydro-3-thiophenyl]methyl}amino)-3,5-dinitrobenzoate | C17H22N4O7S

Methyl 2-({[3-(4-morpholinyl)tetrahydro-3-thiophenyl]methyl}amino)-3,5-dinitrobenzoate

  • Molecular FormulaC17H22N4O7S
  • Average mass426.444 Da
  • Monoisotopic mass426.120911 Da
  • ChemSpider ID34310299

More details:

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

2-({[3-(4-Morpholinyl)tétrahydro-3-thiophényl]méthyl}amino)-3,5-dinitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-dinitro-2-[[[tetrahydro-3-(4-morpholinyl)-3-thienyl]methyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2-({[3-(4-morpholinyl)tetrahydro-3-thiophenyl]methyl}amino)-3,5-dinitrobenzoate [ACD/IUPAC Name]
Methyl-2-({[3-(4-morpholinyl)tetrahydro-3-thiophenyl]methyl}amino)-3,5-dinitrobenzoat [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: 592.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.2±30.1 °C
Index of Refraction: 1.644
Molar Refractivity: 106.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 34.30
ACD/KOC (pH 5.5): 250.02
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 227.12
ACD/KOC (pH 7.4): 1655.72
Polar Surface Area: 168 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 67.6±3.0 dyne/cm
Molar Volume: 295.3±3.0 cm3

Click to predict properties on the Chemicalize site


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