ChemSpider 2D Image | {1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-[isobutyryl(phenyl)amino]-4-piperidinyl}methyl 2-methylpropanoate | C25H38N6O4

{1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-[isobutyryl(phenyl)amino]-4-piperidinyl}methyl 2-methylpropanoate

  • Molecular FormulaC25H38N6O4
  • Average mass486.607 Da
  • Monoisotopic mass486.295441 Da
  • ChemSpider ID23241421

More details:

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

{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-[(2-methylpropanoyl)(phenyl)amino]piperidin-4-yl}methyl 2-methylpropanoate
{1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-[isobutyryl(phenyl)amino]-4-piperidinyl}methyl 2-methylpropanoate [ACD/IUPAC Name]
{1-[2-(4-Ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-[isobutyryl(phenyl)amino]-4-piperidinyl}methyl-2-methylpropanoat [German] [ACD/IUPAC Name]
2-Méthylpropanoate de {1-[2-(4-éthyl-5-oxo-4,5-dihydro-1H-tétrazol-1-yl)éthyl]-4-[isobutyryl(phényl)amino]-4-pipéridinyl}méthyle [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, [1-[2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl]-4-[(2-methyl-1-oxopropyl)phenylamino]-4-piperidinyl]methyl ester [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL435340/
Isobutyric acid 1-[2-(4-ethyl-5-oxo-4,5-dihydro-tetrazol-1-yl)-ethyl]-4-(isobutyryl-phenyl-amino)-piperidin-4-ylmethyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 563.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.6±3.0 kJ/mol
Flash Point: 294.3±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 135.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 2.75
ACD/KOC (pH 5.5): 23.65
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 83.27
ACD/KOC (pH 7.4): 717.02
Polar Surface Area: 98 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 401.0±7.0 cm3

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