ChemSpider 2D Image | Ethyl 4-(3-nitrophenyl)-2-({oxo[(4-sulfamoylbenzyl)amino]acetyl}amino)-3-thiophenecarboxylate | C22H20N4O8S2

Ethyl 4-(3-nitrophenyl)-2-({oxo[(4-sulfamoylbenzyl)amino]acetyl}amino)-3-thiophenecarboxylate

  • Molecular FormulaC22H20N4O8S2
  • Average mass532.546 Da
  • Monoisotopic mass532.072266 Da
  • ChemSpider ID112674755

More details:

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

3-Thiophenecarboxylic acid, 2-[[2-[[[4-(aminosulfonyl)phenyl]methyl]amino]-1,2-dioxoethyl]amino]-4-(3-nitrophenyl)-, ethyl ester [ACD/Index Name]
4-(3-Nitrophényl)-2-({2-oxo-2-[(4-sulfamoylbenzyl)amino]acétyl}amino)-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(3-nitrophenyl)-2-({oxo[(4-sulfamoylbenzyl)amino]acetyl}amino)-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-4-(3-nitrophenyl)-2-({oxo[(4-sulfamoylbenzyl)amino]acetyl}amino)-3-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: 1.652
Molar Refractivity: 130.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 72.72
ACD/KOC (pH 5.5): 748.46
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 72.40
ACD/KOC (pH 7.4): 745.19
Polar Surface Area: 227 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 355.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement