ChemSpider 2D Image | Ethyl 2-[({[4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoyl]oxy}acetyl)amino]benzoate | C24H27N3O7S

Ethyl 2-[({[4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoyl]oxy}acetyl)amino]benzoate

  • Molecular FormulaC24H27N3O7S
  • Average mass501.552 Da
  • Monoisotopic mass501.156982 Da
  • ChemSpider ID13162349

More details:

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

2-[(2-{[4-(1,1-Dioxydo-2H-1,2,4-benzothiadiazin-3-yl)-3,3-diméthylbutanoyl]oxy}acétyl)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
2H-1,2,4-Benzothiadiazine-3-butanoic acid, β,β-dimethyl-, 2-[[2-(ethoxycarbonyl)phenyl]amino]-2-oxoethyl ester, 1,1-dioxide [ACD/Index Name]
Ethyl 2-[({[4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoyl]oxy}acetyl)amino]benzoate [ACD/IUPAC Name]
Ethyl-2-[({[4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoyl]oxy}acetyl)amino]benzoat [German] [ACD/IUPAC Name]
896703-90-5 [RN]
ethyl 2-(2-((4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)-3,3-dimethylbutanoyl)oxy)acetamido)benzoate
ethyl 2-[2-({3-[(1,1-dioxo-2H-1λ6,2,4-benzothiadiazin-3-yl)methyl]-3-methylbutanoyl}oxy)acetamido]benzoate

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.608
Molar Refractivity: 129.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 184.77
ACD/KOC (pH 5.5): 1459.02
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 183.57
ACD/KOC (pH 7.4): 1449.52
Polar Surface Area: 149 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 374.9±7.0 cm3

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