ChemSpider 2D Image | 2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-2-oxoethyl 2-(4-morpholinyl)-5-nitrobenzoate | C18H23N3O8S

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-2-oxoethyl 2-(4-morpholinyl)-5-nitrobenzoate

  • Molecular FormulaC18H23N3O8S
  • Average mass441.456 Da
  • Monoisotopic mass441.120575 Da
  • ChemSpider ID22274777

More details:

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

2-(4-Morpholinyl)-5-nitrobenzoate de 2-[(1,1-dioxydotétrahydro-3-thiophényl)(méthyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-2-oxoethyl 2-(4-morpholinyl)-5-nitrobenzoate [ACD/IUPAC Name]
2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(methyl)amino]-2-oxoethyl-2-(4-morpholinyl)-5-nitrobenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2-(4-morpholinyl)-5-nitro-, 2-[methyl(tetrahydro-1,1-dioxido-3-thienyl)amino]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 742.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 402.6±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.44
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.44
Polar Surface Area: 147 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 298.5±5.0 cm3

Click to predict properties on the Chemicalize site


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