ChemSpider 2D Image | 4-Methyl-N-(2-{7-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}ethyl)benzamide | C26H28N6OS

4-Methyl-N-(2-{7-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}ethyl)benzamide

  • Molecular FormulaC26H28N6OS
  • Average mass472.605 Da
  • Monoisotopic mass472.204529 Da
  • ChemSpider ID22153162

More details:

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

4-Methyl-N-(2-{7-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}ethyl)benzamid [German] [ACD/IUPAC Name]
4-Methyl-N-(2-{7-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}ethyl)benzamide [ACD/IUPAC Name]
4-Méthyl-N-(2-{7-[(2-phényl-1,3-thiazol-5-yl)méthyl]-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl}éthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-methyl-N-[2-[6,7,8,9-tetrahydro-7-[(2-phenyl-5-thiazolyl)methyl]-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.695
Molar Refractivity: 138.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 29.57
ACD/KOC (pH 5.5): 265.15
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 113.90
ACD/KOC (pH 7.4): 1021.16
Polar Surface Area: 104 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 359.5±7.0 cm3

Click to predict properties on the Chemicalize site


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