ChemSpider 2D Image | 2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl 2-hydroxy-3-methoxybenzoate | C18H25NO7S

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl 2-hydroxy-3-methoxybenzoate

  • Molecular FormulaC18H25NO7S
  • Average mass399.459 Da
  • Monoisotopic mass399.135162 Da
  • ChemSpider ID30547635

More details:

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

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl 2-hydroxy-3-methoxybenzoate [ACD/IUPAC Name]
2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl-2-hydroxy-3-methoxybenzoat [German] [ACD/IUPAC Name]
2-Hydroxy-3-méthoxybenzoate de 2-[(1,1-dioxydotétrahydro-3-thiophényl)(isobutyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-3-methoxy-, 2-[(2-methylpropyl)(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: 1.3±0.1 g/cm3
Boiling Point: 623.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 330.6±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 98.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.44
ACD/KOC (pH 5.5): 101.01
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.06
ACD/KOC (pH 7.4): 69.53
Polar Surface Area: 119 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 297.4±5.0 cm3

Click to predict properties on the Chemicalize site


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