ChemSpider 2D Image | Ethyl 4-[3-(3-{[2-(1-azepanyl)ethyl]carbamoyl}-1-piperidinyl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate | C26H42N4O4

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

  • Molecular FormulaC26H42N4O4
  • Average mass474.636 Da
  • Monoisotopic mass474.320618 Da
  • ChemSpider ID28395533

More details:

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

1H-Pyrrole-2-carboxylic acid, 4-[3-[3-[[[2-(hexahydro-1H-azepin-1-yl)ethyl]amino]carbonyl]-1-piperidinyl]-3-oxopropyl]-3,5-dimethyl-, ethyl ester [ACD/Index Name]
4-[3-(3-{[2-(1-Azépanyl)éthyl]carbamoyl}-1-pipéridinyl)-3-oxopropyl]-3,5-diméthyl-1H-pyrrole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[3-(3-{[2-(1-azepanyl)ethyl]carbamoyl}-1-piperidinyl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-[3-(3-{[2-(1-azepanyl)ethyl]carbamoyl}-1-piperidinyl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrol-2-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: 717.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.6±32.9 °C
Index of Refraction: 1.543
Molar Refractivity: 132.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.30
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 9.23
ACD/KOC (pH 7.4): 66.62
Polar Surface Area: 95 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 419.1±3.0 cm3

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