ChemSpider 2D Image | Ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-{[4-(diallylsulfamoyl)benzoyl]amino}-4-methyl-3-thiophenecarboxylate | C29H30N2O7S2

Ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-{[4-(diallylsulfamoyl)benzoyl]amino}-4-methyl-3-thiophenecarboxylate

  • Molecular FormulaC29H30N2O7S2
  • Average mass582.688 Da
  • Monoisotopic mass582.149414 Da
  • ChemSpider ID4246958

More details:

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

3-Thiophenecarboxylic acid, 5-(1,3-benzodioxol-5-ylmethyl)-2-[[4-[(di-2-propen-1-ylamino)sulfonyl]benzoyl]amino]-4-methyl-, ethyl ester [ACD/Index Name]
5-(1,3-Benzodioxol-5-ylméthyl)-2-{[4-(diallylsulfamoyl)benzoyl]amino}-4-méthyl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-(1,3-benzodioxol-5-ylmethyl)-2-{[4-(diallylsulfamoyl)benzoyl]amino}-4-methyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-5-(1,3-benzodioxol-5-ylmethyl)-2-{[4-(diallylsulfamoyl)benzoyl]amino}-4-methyl-3-thiophencarboxylat [German] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 153.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 45523.49
ACD/KOC (pH 5.5): 75153.20
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 45521.09
ACD/KOC (pH 7.4): 75149.24
Polar Surface Area: 148 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 440.8±3.0 cm3

Click to predict properties on the Chemicalize site


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