ChemSpider 2D Image | 2-(4-Bromo-2-thienyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-thiazole-4-carboxamide | C16H16BrN5OS2

2-(4-Bromo-2-thienyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-thiazole-4-carboxamide

  • Molecular FormulaC16H16BrN5OS2
  • Average mass438.365 Da
  • Monoisotopic mass436.997955 Da
  • ChemSpider ID31663403

More details:

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

2-(4-Brom-2-thienyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
2-(4-Bromo-2-thienyl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
2-(4-Bromo-2-thiényl)-N-(6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-3-ylméthyl)-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Thiazolecarboxamide, 2-(4-bromo-2-thienyl)-N-[(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)methyl]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.818
Molar Refractivity: 106.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 62.91
ACD/KOC (pH 5.5): 674.22
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 63.07
ACD/KOC (pH 7.4): 675.97
Polar Surface Area: 129 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 72.8±7.0 dyne/cm
Molar Volume: 244.6±7.0 cm3

Click to predict properties on the Chemicalize site


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