ChemSpider 2D Image | 4-{1-[(5-Chloro-2-thienyl)carbonyl]-4-piperidinyl}phenyl (2E)-3-(3-isopropoxyphenyl)acrylate | C28H28ClNO4S

4-{1-[(5-Chloro-2-thienyl)carbonyl]-4-piperidinyl}phenyl (2E)-3-(3-isopropoxyphenyl)acrylate

  • Molecular FormulaC28H28ClNO4S
  • Average mass510.044 Da
  • Monoisotopic mass509.142761 Da
  • ChemSpider ID112670208

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3-Isopropoxyphényl)acrylate de 4-{1-[(5-chloro-2-thiényl)carbonyl]-4-pipéridinyl}phényle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[3-(1-methylethoxy)phenyl]-, 4-[1-[(5-chloro-2-thienyl)carbonyl]-4-piperidinyl]phenyl ester, (2E)- [ACD/Index Name]
4-{1-[(5-Chlor-2-thienyl)carbonyl]-4-piperidinyl}phenyl-(2E)-3-(3-isopropoxyphenyl)acrylat [German] [ACD/IUPAC Name]
4-{1-[(5-Chloro-2-thienyl)carbonyl]-4-piperidinyl}phenyl (2E)-3-(3-isopropoxyphenyl)acrylate [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 675.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 362.5±31.5 °C
Index of Refraction: 1.621
Molar Refractivity: 142.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 6.28
ACD/BCF (pH 5.5): 35207.00
ACD/KOC (pH 5.5): 62525.99
ACD/LogD (pH 7.4): 6.28
ACD/BCF (pH 7.4): 35207.00
ACD/KOC (pH 7.4): 62525.99
Polar Surface Area: 84 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 404.0±3.0 cm3

Click to predict properties on the Chemicalize site


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