ChemSpider 2D Image | 2-({2,5-Dioxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-pyrrolidinyl}sulfanyl)benzoic acid | C20H15N3O6S3

2-({2,5-Dioxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-pyrrolidinyl}sulfanyl)benzoic acid

  • Molecular FormulaC20H15N3O6S3
  • Average mass489.545 Da
  • Monoisotopic mass489.012299 Da
  • ChemSpider ID23467944

More details:

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

2-({2,5-Dioxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-pyrrolidinyl}sulfanyl)benzoesäure [German] [ACD/IUPAC Name]
2-({2,5-Dioxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-pyrrolidinyl}sulfanyl)benzoic acid [ACD/IUPAC Name]
2-({2,5-Dioxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid
Acide 2-({2,5-dioxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)phényl]-3-pyrrolidinyl}sulfanyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2,5-dioxo-1-[4-[(2-thiazolylamino)sulfonyl]phenyl]-3-pyrrolidinyl]thio]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 816.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 447.5±37.1 °C
Index of Refraction: 1.760
Molar Refractivity: 119.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.86
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 99.1±5.0 dyne/cm
Molar Volume: 290.4±5.0 cm3

Click to predict properties on the Chemicalize site


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