Found 1 result

Search term: MF = 'C_{26}H_{19}Br_{2}N_{3}O_{7}S_{3}'

ChemSpider 2D Image | PTP1B Inhibitor | C26H19Br2N3O7S3

PTP1B Inhibitor

  • Molecular FormulaC26H19Br2N3O7S3
  • Average mass741.448 Da
  • Monoisotopic mass738.875183 Da
  • ChemSpider ID395393

More details:






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

3-(3,5-Dibrom-4-hydroxybenzoyl)-2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-6-sulfonamid [German] [ACD/IUPAC Name]
3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE
3-(3,5-Dibromo-4-hydroxybenzoyl)-2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-6-sulfonamide [ACD/IUPAC Name]
3-(3,5-Dibromo-4-hydroxybenzoyl)-2-éthyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phényl]-1-benzofurane-6-sulfonamide [French] [ACD/IUPAC Name]
3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}-1-benzofuran-6-sulfonamide
6-Benzofuransulfonamide, 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-[4-[(2-thiazolylamino)sulfonyl]phenyl]- [ACD/Index Name]
765317-72-4 [RN]
PTP1B Inhibitor
3-(3,5-dibromo-4-hydroxy-benzoyl)-2-ethyl-benzofuran-6-sulfonic acid-(4-(thiazol-2-ylsulfamyl)-phenyl)-amide
3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-(4-(N-thiazol-2-ylsulfamoyl)phenyl)benzofuran-6-sulfonamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 855.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±3.0 kJ/mol
Flash Point: 470.9±37.1 °C
Index of Refraction: 1.727
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 6.80
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 1669.19
ACD/KOC (pH 5.5): 3375.77
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 2.28
ACD/KOC (pH 7.4): 4.61
Polar Surface Area: 201 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 78.9±3.0 dyne/cm
Molar Volume: 409.0±3.0 cm3

Click to predict properties on the Chemicalize site






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