ChemSpider 2D Image | Ethyl 4-(3-{4-[(2,4-dimethoxybenzyl)carbamoyl]-1-piperidinyl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate | C27H37N3O6

Ethyl 4-(3-{4-[(2,4-dimethoxybenzyl)carbamoyl]-1-piperidinyl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC27H37N3O6
  • Average mass499.599 Da
  • Monoisotopic mass499.268250 Da
  • ChemSpider ID28376519

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[3-[4-[[[(2,4-dimethoxyphenyl)methyl]amino]carbonyl]-1-piperidinyl]-3-oxopropyl]-3,5-dimethyl-, ethyl ester [ACD/Index Name]
4-(3-{4-[(2,4-Diméthoxybenzyl)carbamoyl]-1-pipéridinyl}-3-oxopropyl)-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(3-{4-[(2,4-dimethoxybenzyl)carbamoyl]-1-piperidinyl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-(3-{4-[(2,4-dimethoxybenzyl)carbamoyl]-1-piperidinyl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
ethyl 4-[3-(4-{[(2,4-dimethoxybenzyl)amino]carbonyl}piperidin-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-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: 753.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 409.5±32.9 °C
Index of Refraction: 1.561
Molar Refractivity: 136.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 359.49
ACD/KOC (pH 5.5): 2348.70
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 359.90
ACD/KOC (pH 7.4): 2351.36
Polar Surface Area: 110 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 420.0±3.0 cm3

Click to predict properties on the Chemicalize site


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