ChemSpider 2D Image | methyl {4-[phenyl(propanoyl)amino]-1-[2-(2H-tetrazol-2-yl)ethyl]piperidin-4-yl}methyl carbonate | C20H28N6O4

methyl {4-[phenyl(propanoyl)amino]-1-[2-(2H-tetrazol-2-yl)ethyl]piperidin-4-yl}methyl carbonate

  • Molecular FormulaC20H28N6O4
  • Average mass416.474 Da
  • Monoisotopic mass416.217194 Da
  • ChemSpider ID23241094

More details:

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

Carbonate de méthyle et de {4-[phényl(propionyl)amino]-1-[2-(2H-tétrazol-2-yl)éthyl]-4-pipéridinyl}méthyle [French] [ACD/IUPAC Name]
Carbonic acid, methyl [4-[(1-oxopropyl)phenylamino]-1-[2-(2H-tetrazol-2-yl)ethyl]-4-piperidinyl]methyl ester [ACD/Index Name]
methyl {4-[phenyl(propanoyl)amino]-1-[2-(2H-tetrazol-2-yl)ethyl]piperidin-4-yl}methyl carbonate
Methyl {4-[phenyl(propionyl)amino]-1-[2-(2H-tetrazol-2-yl)ethyl]-4-piperidinyl}methyl carbonate [ACD/IUPAC Name]
Methyl-{4-[phenyl(propionyl)amino]-1-[2-(2H-tetrazol-2-yl)ethyl]-4-piperidinyl}methylcarbonat [German] [ACD/IUPAC Name]
Carbonic acid methyl ester 4-(phenyl-propionyl-amino)-1-(2-tetrazol-2-yl-ethyl)-piperidin-4-ylmethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL369455/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 567.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 296.9±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 112.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.57
ACD/KOC (pH 5.5): 29.53
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.32
ACD/KOC (pH 7.4): 156.00
Polar Surface Area: 103 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 326.5±7.0 cm3

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