ChemSpider 2D Image | 3-(5-Methyl-1,2,4-oxadiazol-3-yl)-N-(4-{2-[7-(methylsulfonyl)-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]ethyl}cyclohexyl)benzamide | C29H36N4O4S

3-(5-Methyl-1,2,4-oxadiazol-3-yl)-N-(4-{2-[7-(methylsulfonyl)-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]ethyl}cyclohexyl)benzamide

  • Molecular FormulaC29H36N4O4S
  • Average mass536.685 Da
  • Monoisotopic mass536.245728 Da
  • ChemSpider ID8004357

More details:






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

3-(5-Methyl-1,2,4-oxadiazol-3-yl)-N-(4-{2-[7-(methylsulfonyl)-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]ethyl}cyclohexyl)benzamid [German] [ACD/IUPAC Name]
3-(5-Methyl-1,2,4-oxadiazol-3-yl)-N-(4-{2-[7-(methylsulfonyl)-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]ethyl}cyclohexyl)benzamide [ACD/IUPAC Name]
3-(5-Méthyl-1,2,4-oxadiazol-3-yl)-N-(4-{2-[7-(méthylsulfonyl)-1,2,4,5-tétrahydro-3H-3-benzazépin-3-yl]éthyl}cyclohexyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[4-[2-[1,2,4,5-tetrahydro-7-(methylsulfonyl)-3H-3-benzazepin-3-yl]ethyl]cyclohexyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.12
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 34.23
ACD/KOC (pH 7.4): 200.66
Polar Surface Area: 114 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 412.7±5.0 cm3

Click to predict properties on the Chemicalize site






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