ChemSpider 2D Image | 2-Amino-4-[4-(3-azetidinylsulfonyl)-3-sulfamoyl-2-(5-tetrazolidinyl)phenyl]-1,3-benzothiazole-7-carboxylic acid | C18H20N8O6S3

2-Amino-4-[4-(3-azetidinylsulfonyl)-3-sulfamoyl-2-(5-tetrazolidinyl)phenyl]-1,3-benzothiazole-7-carboxylic acid

  • Molecular FormulaC18H20N8O6S3
  • Average mass540.596 Da
  • Monoisotopic mass540.066772 Da
  • ChemSpider ID128994716

More details:

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

2-Amino-4-[4-(3-azetidinylsulfonyl)-3-sulfamoyl-2-(5-tetrazolidinyl)phenyl]-1,3-benzothiazol-7-carbonsäure [German] [ACD/IUPAC Name]
2-Amino-4-[4-(3-azetidinylsulfonyl)-3-sulfamoyl-2-(5-tetrazolidinyl)phenyl]-1,3-benzothiazole-7-carboxylic acid [ACD/IUPAC Name]
7-Benzothiazolecarboxylic acid, 2-amino-4-[3-(aminosulfonyl)-4-(3-azetidinylsulfonyl)-2-(5-tetrazolidinyl)phenyl]- [ACD/Index Name]
Acide 2-amino-4-[4-(3-azétidinylsulfonyl)-3-sulfamoyl-2-(5-tétrazolidinyl)phényl]-1,3-benzothiazole-7-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 900.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.1±3.0 kJ/mol
Flash Point: 498.2±37.1 °C
Index of Refraction: 1.715
Molar Refractivity: 128.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -3.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 276 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 77.8±3.0 dyne/cm
Molar Volume: 327.7±3.0 cm3

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