ChemSpider 2D Image | (3S,4R)-N-Methyl-3-phenyl-4-[({5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-yl}methyl)amino]-1-piperidinecarboxamide | C24H26F3N7O2

(3S,4R)-N-Methyl-3-phenyl-4-[({5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-yl}methyl)amino]-1-piperidinecarboxamide

  • Molecular FormulaC24H26F3N7O2
  • Average mass501.504 Da
  • Monoisotopic mass501.210022 Da
  • ChemSpider ID8159078

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-N-Methyl-3-phenyl-4-[({5-[5-(trifluormethyl)-1H-tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-yl}methyl)amino]-1-piperidincarboxamid [German] [ACD/IUPAC Name]
(3S,4R)-N-Methyl-3-phenyl-4-[({5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]-2,3-dihydro-1-benzofuran-7-yl}methyl)amino]-1-piperidinecarboxamide [ACD/IUPAC Name]
(3S,4R)-N-Méthyl-3-phényl-4-[({5-[5-(trifluorométhyl)-1H-tétrazol-1-yl]-2,3-dihydro-1-benzofuran-7-yl}méthyl)amino]-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-Piperidinecarboxamide, 4-[[[2,3-dihydro-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]-7-benzofuranyl]methyl]amino]-N-methyl-3-phenyl-, (3S,4R)- [ACD/Index Name]

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: 1.667
Molar Refractivity: 125.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.42
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.17
ACD/LogD (pH 7.4): 1.64
ACD/BCF (pH 7.4): 7.72
ACD/KOC (pH 7.4): 106.43
Polar Surface Area: 97 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 51.8±7.0 dyne/cm
Molar Volume: 338.0±7.0 cm3

Click to predict properties on the Chemicalize site


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