Found 42 results

Search term: MF = 'C_{22}H_{16}BrN_{3}O_{3}S_{2}'
ChemSpider 2D Image | N-{[3-(1,3-Benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-(4-bromophenoxy)acetamide | C22H16BrN3O3S2

N-{[3-(1,3-Benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-(4-bromophenoxy)acetamide

  • Molecular FormulaC22H16BrN3O3S2
  • Average mass514.415 Da
  • Monoisotopic mass512.981628 Da
  • ChemSpider ID12812882

More details:

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

Acetamide, N-[[[3-(2-benzothiazolyl)-4-hydroxyphenyl]amino]thioxomethyl]-2-(4-bromophenoxy)- [ACD/Index Name]
N-{[3-(1,3-Benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-(4-bromophenoxy)acetamide [ACD/IUPAC Name]
N-{[3-(1,3-Benzothiazol-2-yl)-4-hydroxyphényl]carbamothioyl}-2-(4-bromophénoxy)acétamide [French] [ACD/IUPAC Name]
N-{[3-(1,3-Benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-(4-bromphenoxy)acetamid [German] [ACD/IUPAC Name]
N-{[(3-benzothiazol-2-yl-4-hydroxyphenyl)amino]thioxomethyl}-2-(4-bromophenoxy)acetamide

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.760
Molar Refractivity: 130.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3566.11
ACD/KOC (pH 5.5): 12091.73
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1552.28
ACD/KOC (pH 7.4): 5263.36
Polar Surface Area: 144 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 75.5±3.0 dyne/cm
Molar Volume: 317.9±3.0 cm3

Click to predict properties on the Chemicalize site


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