ChemSpider 2D Image | 3-Chloro-6-fluoro-N-(2-{4-[(5-isopropyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}ethyl)-1-benzothiophene-2-carboxamide | C22H20ClFN4O3S3

3-Chloro-6-fluoro-N-(2-{4-[(5-isopropyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}ethyl)-1-benzothiophene-2-carboxamide

  • Molecular FormulaC22H20ClFN4O3S3
  • Average mass539.066 Da
  • Monoisotopic mass538.036987 Da
  • ChemSpider ID26325237

More details:






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

3-Chlor-6-fluor-N-(2-{4-[(5-isopropyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}ethyl)-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
3-Chloro-6-fluoro-N-(2-{4-[(5-isopropyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}ethyl)-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
3-Chloro-6-fluoro-N-(2-{4-[(5-isopropyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phényl}éthyl)-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
3-Chloro-6-Fluoro-N-[2-[4-[(5-Propan-2-Yl-1,3,4-Thiadiazol-2-Yl)sulfamoyl]phenyl]ethyl]-1-Benzothiophene-2-Carboxamide
Benzo[b]thiophene-2-carboxamide, 3-chloro-6-fluoro-N-[2-[4-[[[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]amino]sulfonyl]phenyl]ethyl]- [ACD/Index Name]
08S

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1698.03
ACD/KOC (pH 5.5): 6454.40
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 92.18
ACD/KOC (pH 7.4): 350.38
Polar Surface Area: 166 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 67.6±3.0 dyne/cm
Molar Volume: 361.9±3.0 cm3

Click to predict properties on the Chemicalize site






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