Found 11 results

Search term: MF = 'C_{21}H_{17}BrClN_{3}O_{3}S_{2}'
ChemSpider 2D Image | N-(6-Bromo-2,3-dihydro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl]-N-(2-pyridinylmethyl)acetamide | C21H17BrClN3O3S2

N-(6-Bromo-2,3-dihydro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl]-N-(2-pyridinylmethyl)acetamide

  • Molecular FormulaC21H17BrClN3O3S2
  • Average mass538.865 Da
  • Monoisotopic mass536.958313 Da
  • ChemSpider ID109841690

More details:

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

Acetamide, N-(6-bromo-2,3-dihydro-2-benzothiazolyl)-2-[(4-chlorophenyl)sulfonyl]-N-(2-pyridinylmethyl)- [ACD/Index Name]
N-(6-Brom-2,3-dihydro-1,3-benzothiazol-2-yl)-2-[(4-chlorphenyl)sulfonyl]-N-(2-pyridinylmethyl)acetamid [German] [ACD/IUPAC Name]
N-(6-Bromo-2,3-dihydro-1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)sulfonyl]-N-(2-pyridinylmethyl)acetamide [ACD/IUPAC Name]
N-(6-Bromo-2,3-dihydro-1,3-benzothiazol-2-yl)-2-[(4-chlorophényl)sulfonyl]-N-(2-pyridinylméthyl)acétamide [French] [ACD/IUPAC 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: 740.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.8±32.9 °C
Index of Refraction: 1.737
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 347.58
ACD/KOC (pH 5.5): 2278.71
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 355.45
ACD/KOC (pH 7.4): 2330.31
Polar Surface Area: 113 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 82.0±5.0 dyne/cm
Molar Volume: 317.0±5.0 cm3

Click to predict properties on the Chemicalize site


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