ChemSpider 2D Image | (2E)-1-{5-Methoxy-6-[2-(1-piperidinyl)ethoxy]-2,3-dihydro-1H-indol-1-yl}-3-{2-[(2-phenylethyl)sulfanyl]phenyl}-2-propen-1-one | C33H38N2O3S

(2E)-1-{5-Methoxy-6-[2-(1-piperidinyl)ethoxy]-2,3-dihydro-1H-indol-1-yl}-3-{2-[(2-phenylethyl)sulfanyl]phenyl}-2-propen-1-one

  • Molecular FormulaC33H38N2O3S
  • Average mass542.731 Da
  • Monoisotopic mass542.260315 Da
  • ChemSpider ID8341363

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-{5-Methoxy-6-[2-(1-piperidinyl)ethoxy]-2,3-dihydro-1H-indol-1-yl}-3-{2-[(2-phenylethyl)sulfanyl]phenyl}-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-{5-Methoxy-6-[2-(1-piperidinyl)ethoxy]-2,3-dihydro-1H-indol-1-yl}-3-{2-[(2-phenylethyl)sulfanyl]phenyl}-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-{5-Méthoxy-6-[2-(1-pipéridinyl)éthoxy]-2,3-dihydro-1H-indol-1-yl}-3-{2-[(2-phényléthyl)sulfanyl]phényl}-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[2,3-dihydro-5-methoxy-6-[2-(1-piperidinyl)ethoxy]-1H-indol-1-yl]-3-[2-[(2-phenylethyl)thio]phenyl]-, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 704.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 380.0±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 160.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 12.15
ACD/KOC (pH 5.5): 32.52
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 425.37
ACD/KOC (pH 7.4): 1138.61
Polar Surface Area: 67 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 442.1±5.0 cm3

Click to predict properties on the Chemicalize site


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