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Search term: REBKUYQDOKNWTG-SCXYCHFOCT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[(1-Bromo-2-naphthyl)oxy]-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}acetamide | C27H20BrN3O2S2

2-[(1-Bromo-2-naphthyl)oxy]-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}acetamide

  • Molecular FormulaC27H20BrN3O2S2
  • Average mass562.501 Da
  • Monoisotopic mass561.018005 Da
  • ChemSpider ID3674911

More details:

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

2-[(1-Brom-2-naphthyl)oxy]-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}acetamid [German] [ACD/IUPAC Name]
2-[(1-Bromo-2-naphthyl)oxy]-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}acetamide [ACD/IUPAC Name]
2-[(1-Bromo-2-naphtyl)oxy]-N-{[4-(6-méthyl-1,3-benzothiazol-2-yl)phényl]carbamothioyl}acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[(1-bromo-2-naphthalenyl)oxy]-N-[[[4-(6-methyl-2-benzothiazolyl)phenyl]amino]thioxomethyl]- [ACD/Index Name]
2-[(1-bromo-2-naphthyl)oxy]-N-({[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}carbonothioyl)acetamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.756
Molar Refractivity: 151.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.42
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 51039.14
ACD/KOC (pH 5.5): 81493.91
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 41380.62
ACD/KOC (pH 7.4): 66072.20
Polar Surface Area: 124 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 369.9±3.0 cm3

Click to predict properties on the Chemicalize site


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