ChemSpider 2D Image | Methyl 5-({4-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]phenyl}carbamoyl)-2-thiophenecarboxylate | C21H18N2O7S2

Methyl 5-({4-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]phenyl}carbamoyl)-2-thiophenecarboxylate

  • Molecular FormulaC21H18N2O7S2
  • Average mass474.507 Da
  • Monoisotopic mass474.055542 Da
  • ChemSpider ID21737983

More details:

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

2-Thiophenecarboxylic acid, 5-[[[4-[[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]amino]phenyl]amino]carbonyl]-, methyl ester [ACD/Index Name]
5-({4-[(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]phényl}carbamoyl)-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-({4-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]phenyl}carbamoyl)-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-5-({4-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]phenyl}carbamoyl)-2-thiophencarboxylat [German] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.668
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 92.27
ACD/KOC (pH 5.5): 887.30
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 84.91
ACD/KOC (pH 7.4): 816.52
Polar Surface Area: 157 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 313.7±3.0 cm3

Click to predict properties on the Chemicalize site


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