ChemSpider 2D Image | N-(6-Bromo-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide | C16H13BrN6O3S

N-(6-Bromo-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide

  • Molecular FormulaC16H13BrN6O3S
  • Average mass449.282 Da
  • Monoisotopic mass447.995300 Da
  • ChemSpider ID58449410

More details:

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

7H-Purine-7-acetamide, N-(6-bromo-2-benzothiazolyl)-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- [ACD/Index Name]
N-(6-Brom-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamid [German] [ACD/IUPAC Name]
N-(6-Bromo-1,3-benzothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide [ACD/IUPAC Name]
N-(6-Bromo-1,3-benzothiazol-2-yl)-2-(1,3-diméthyl-2,6-dioxo-1,2,3,6-tétrahydro-7H-purin-7-yl)acétamide [French] [ACD/IUPAC Name]
N-(6-bromobenzo[d]thiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamide

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.824
Molar Refractivity: 104.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.26
ACD/KOC (pH 5.5): 507.46
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.63
ACD/KOC (pH 7.4): 487.81
Polar Surface Area: 129 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 76.8±7.0 dyne/cm
Molar Volume: 239.7±7.0 cm3

Click to predict properties on the Chemicalize site


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