ChemSpider 2D Image | Methyl 4-(3-{3-[(3-chloro-4-methoxyphenyl)amino]-3-oxopropyl}-1-piperidinyl)-4-oxobutanoate | C20H27ClN2O5

Methyl 4-(3-{3-[(3-chloro-4-methoxyphenyl)amino]-3-oxopropyl}-1-piperidinyl)-4-oxobutanoate

  • Molecular FormulaC20H27ClN2O5
  • Average mass410.892 Da
  • Monoisotopic mass410.160858 Da
  • ChemSpider ID22247254

More details:

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

1-Piperidinebutanoic acid, 3-[3-[(3-chloro-4-methoxyphenyl)amino]-3-oxopropyl]-γ-oxo-, methyl ester [ACD/Index Name]
4-(3-{3-[(3-Chloro-4-méthoxyphényl)amino]-3-oxopropyl}-1-pipéridinyl)-4-oxobutanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(3-{3-[(3-chloro-4-methoxyphenyl)amino]-3-oxopropyl}-1-piperidinyl)-4-oxobutanoate [ACD/IUPAC Name]
Methyl-4-(3-{3-[(3-chlor-4-methoxyphenyl)amino]-3-oxopropyl}-1-piperidinyl)-4-oxobutanoat [German] [ACD/IUPAC Name]
METHYL 4-(3-{2-[(3-CHLORO-4-METHOXYPHENYL)CARBAMOYL]ETHYL}PIPERIDIN-1-YL)-4-OXOBUTANOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 622.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.5±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 106.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 180.82
ACD/KOC (pH 5.5): 1436.62
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 180.82
ACD/KOC (pH 7.4): 1436.64
Polar Surface Area: 85 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 332.8±3.0 cm3

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