ChemSpider 2D Image | Methyl ({2-[(4-{[(4-fluorophenyl)sulfonyl]amino}benzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl}carbonyl)carbamate | C23H20FN3O6S2

Methyl ({2-[(4-{[(4-fluorophenyl)sulfonyl]amino}benzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl}carbonyl)carbamate

  • Molecular FormulaC23H20FN3O6S2
  • Average mass517.550 Da
  • Monoisotopic mass517.077759 Da
  • ChemSpider ID58533871

More details:

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

({2-[(4-{[(4-Fluorophényl)sulfonyl]amino}benzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophén-3-yl}carbonyl)carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[[2-[[4-[[(4-fluorophenyl)sulfonyl]amino]benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thien-3-yl]carbonyl]-, methyl ester [ACD/Index Name]
Methyl ({2-[(4-{[(4-fluorophenyl)sulfonyl]amino}benzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl}carbonyl)carbamate [ACD/IUPAC Name]
Methyl-({2-[(4-{[(4-fluorphenyl)sulfonyl]amino}benzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl}carbonyl)carbamat [German] [ACD/IUPAC Name]
methyl (2-(4-(4-fluorophenylsulfonamido)benzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl)carbamate

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: 1.666
Molar Refractivity: 126.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1099.83
ACD/KOC (pH 5.5): 5126.40
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 180.69
ACD/KOC (pH 7.4): 842.20
Polar Surface Area: 167 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 70.8±3.0 dyne/cm
Molar Volume: 340.5±3.0 cm3

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