ChemSpider 2D Image | Ethyl 1-{3-[(1-benzyl-4-piperidinyl)amino]-3-oxopropyl}-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate | C30H37N3O4

Ethyl 1-{3-[(1-benzyl-4-piperidinyl)amino]-3-oxopropyl}-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate

  • Molecular FormulaC30H37N3O4
  • Average mass503.633 Da
  • Monoisotopic mass503.278412 Da
  • ChemSpider ID17323076

More details:

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

1-{3-[(1-Benzyl-4-pipéridinyl)amino]-3-oxopropyl}-5-(4-méthoxyphényl)-2-méthyl-1H-pyrrole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-3-carboxylic acid, 5-(4-methoxyphenyl)-2-methyl-1-[3-oxo-3-[[1-(phenylmethyl)-4-piperidinyl]amino]propyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{3-[(1-benzyl-4-piperidinyl)amino]-3-oxopropyl}-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Ethyl-1-{3-[(1-benzyl-4-piperidinyl)amino]-3-oxopropyl}-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]
ethyl 1-{3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl}-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 681.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 366.2±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 145.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 28.35
ACD/KOC (pH 5.5): 85.56
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1421.89
ACD/KOC (pH 7.4): 4291.22
Polar Surface Area: 73 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 432.1±7.0 cm3

Click to predict properties on the Chemicalize site


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