Found 96 results

Search term: MF = 'C_{23}H_{25}NO_{2}S_{2}'
ChemSpider 2D Image | Methyl (9Z)-9-({5-[4-(methylsulfanyl)phenyl]-2-thienyl}methylene)-7-azatricyclo[4.3.1.0~3,7~]decane-2-carboxylate | C23H25NO2S2

Methyl (9Z)-9-({5-[4-(methylsulfanyl)phenyl]-2-thienyl}methylene)-7-azatricyclo[4.3.1.03,7]decane-2-carboxylate

  • Molecular FormulaC23H25NO2S2
  • Average mass411.580 Da
  • Monoisotopic mass411.132660 Da
  • ChemSpider ID23201333

  • Double-bond stereo - Double-bond stereo

More details:

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

(9Z)-9-({5-[4-(Méthylsulfanyl)phényl]-2-thiényl}méthylène)-7-azatricyclo[4.3.1.03,7]décane-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
3,7-Methanoindolizine-8-carboxylic acid, octahydro-6-[[5-[4-(methylthio)phenyl]-2-thienyl]methylene]-, methyl ester, (6Z)- [ACD/Index Name]
methyl (6Z)-6-({5-[4-(methylsulfanyl)phenyl]thiophen-2-yl}methylidene)octahydro-3,7-methanoindolizine-8-carboxylate
Methyl (9Z)-9-({5-[4-(methylsulfanyl)phenyl]-2-thienyl}methylene)-7-azatricyclo[4.3.1.03,7]decane-2-carboxylate [ACD/IUPAC Name]
Methyl-(9Z)-9-({5-[4-(methylsulfanyl)phenyl]-2-thienyl}methylen)-7-azatricyclo[4.3.1.03,7]decan-2-carboxylat [German] [ACD/IUPAC Name]
9-[1-[5-(4-Methylsulfanyl-phenyl)-thiophen-2-yl]-meth-(Z)-ylidene]-7-aza-tricyclo[4.3.1.0*3,7*]decane-2-carboxylic acid methyl ester
CHEMBL334027
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL334027/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 564.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 295.4±30.1 °C
Index of Refraction: 1.668
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 9.36
ACD/KOC (pH 5.5): 30.40
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 433.11
ACD/KOC (pH 7.4): 1406.19
Polar Surface Area: 83 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 314.0±5.0 cm3

Click to predict properties on the Chemicalize site


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