ChemSpider 2D Image | Methyl 5-{[4-(2-{[3-(1-azepanyl)butyl]amino}-2-oxoethyl)-1-piperidinyl]carbonyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate | C26H42N4O4

Methyl 5-{[4-(2-{[3-(1-azepanyl)butyl]amino}-2-oxoethyl)-1-piperidinyl]carbonyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate

  • Molecular FormulaC26H42N4O4
  • Average mass474.636 Da
  • Monoisotopic mass474.320618 Da
  • ChemSpider ID28973437

More details:

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

1H-Pyrrole-3-carboxylic acid, 5-[[4-[2-[[3-(hexahydro-1H-azepin-1-yl)butyl]amino]-2-oxoethyl]-1-piperidinyl]carbonyl]-2,4-dimethyl-, methyl ester [ACD/Index Name]
5-{[4-(2-{[3-(1-Azépanyl)butyl]amino}-2-oxoéthyl)-1-pipéridinyl]carbonyl}-2,4-diméthyl-1H-pyrrole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-{[4-(2-{[3-(1-azepanyl)butyl]amino}-2-oxoethyl)-1-piperidinyl]carbonyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Methyl-5-{[4-(2-{[3-(1-azepanyl)butyl]amino}-2-oxoethyl)-1-piperidinyl]carbonyl}-2,4-dimethyl-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 710.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.7±32.9 °C
Index of Refraction: 1.542
Molar Refractivity: 132.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.93
Polar Surface Area: 95 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 422.1±3.0 cm3

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