ChemSpider 2D Image | Oxyprothepin decanoate | C32H46N2O2S2

Oxyprothepin decanoate

  • Molecular FormulaC32H46N2O2S2
  • Average mass554.850 Da
  • Monoisotopic mass554.300049 Da
  • ChemSpider ID84173

More details:

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

255-592-5 [EINECS]
3-{4-[8-(Methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-1-piperazinyl}propyl decanoate [ACD/IUPAC Name]
3-{4-[8-(Methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-1-piperazinyl}propyl-decanoat [German] [ACD/IUPAC Name]
3-{4-[8-(Methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazin-1-yl}propyl decanoate
41931-86-6 [RN]
Décanoate de 3-{4-[8-(méthylsulfanyl)-10,11-dihydrodibenzo[b,f]thiépin-10-yl]-1-pipérazinyl}propyle [French] [ACD/IUPAC Name]
Decanoic acid, 3-[4-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-1-piperazinyl]propyl ester [ACD/Index Name]
Oxyprothepin decanoate
3-(4-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)piperazinyl)propyl decanoate
3-(4-(8-(Methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl)propyl decanoate
More...

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

KFH034QDI8 [DBID]
UNII:KFH034QDI8 [DBID]
BRN 0905225 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 637.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.4±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 165.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.72
ACD/LogD (pH 5.5): 6.78
ACD/BCF (pH 5.5): 27103.65
ACD/KOC (pH 5.5): 13562.31
ACD/LogD (pH 7.4): 8.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 600316.69
Polar Surface Area: 83 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 479.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement