ChemSpider 2D Image | Methyl 3-{[2-(5-chloro-2-methylphenyl)-1,1-dioxido-3-oxo-2,3-dihydro-4H-1,2,4-benzothiadiazin-4-yl]methyl}-4-methoxybenzoate | C24H21ClN2O6S

Methyl 3-{[2-(5-chloro-2-methylphenyl)-1,1-dioxido-3-oxo-2,3-dihydro-4H-1,2,4-benzothiadiazin-4-yl]methyl}-4-methoxybenzoate

  • Molecular FormulaC24H21ClN2O6S
  • Average mass500.951 Da
  • Monoisotopic mass500.080872 Da
  • ChemSpider ID18472662

More details:

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

3-{[2-(5-Chloro-2-méthylphényl)-3-oxo-1,1-dioxydo-2,3-dihydro-4H-1,2,4-benzothiadiazin-4-yl]méthyl}-4-méthoxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[2-(5-chloro-2-methylphenyl)-2,3-dihydro-1,1-dioxido-3-oxo-4H-1,2,4-benzothiadiazin-4-yl]methyl]-4-methoxy-, methyl ester [ACD/Index Name]
Methyl 3-{[2-(5-chloro-2-methylphenyl)-1,1-dioxido-3-oxo-2,3-dihydro-4H-1,2,4-benzothiadiazin-4-yl]methyl}-4-methoxybenzoate [ACD/IUPAC Name]
Methyl-3-{[2-(5-chlor-2-methylphenyl)-1,1-dioxido-3-oxo-2,3-dihydro-4H-1,2,4-benzothiadiazin-4-yl]methyl}-4-methoxybenzoat [German] [ACD/IUPAC Name]
893787-70-7 [RN]
methyl 3-((2-(5-chloro-2-methylphenyl)-1,1-dioxido-3-oxo-2H-benzo[e][1,2,4]thiadiazin-4(3H)-yl)methyl)-4-methoxybenzoate
methyl 3-{[2-(5-chloro-2-methylphenyl)-1,1,3-trioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-4-yl]methyl}-4-methoxybenzoate
methyl 3-{[2-(5-chloro-2-methylphenyl)-1,1,3-trioxobenzo[e]1,2,4-thiadiazaperhydroin-4-yl]methyl}-4-methoxybenzoate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 678.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.1±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 127.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 987.10
ACD/KOC (pH 5.5): 4841.33
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 987.10
ACD/KOC (pH 7.4): 4841.33
Polar Surface Area: 102 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 354.1±3.0 cm3

Click to predict properties on the Chemicalize site


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