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Search term: UTTQFDDUZYVQHZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-N~2~-(2,3-dimethylcyclohexyl)-N~6~-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide | C34H39N3O6S

3-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-N2-(2,3-dimethylcyclohexyl)-N6-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

  • Molecular FormulaC34H39N3O6S
  • Average mass617.755 Da
  • Monoisotopic mass617.255981 Da
  • ChemSpider ID2613886

More details:

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

3-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-N2-(2,3-dimethylcyclohexyl)-N6-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2,6-dicarboxamid [German] [ACD/IUPAC Name]
3-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-N2-(2,3-dimethylcyclohexyl)-N6-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide [ACD/IUPAC Name]
3-(2,3-Dihydro-1,4-benzodioxin-2-ylméthyl)-N2-(2,3-diméthylcyclohexyl)-N6-[3-(méthylsulfanyl)phényl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]déc-8-ène-2,6-dicarboxamide [French] [ACD/IUPAC Name]
3a,6-Epoxy-3aH-isoindole-3,7-dicarboxamide, 2-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N3-(2,3-dimethylcyclohexyl)-1,2,3,6,7,7a-hexahydro-N7-[3-(methylthio)phenyl]-1-oxo- [ACD/Index Name]

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

EU-0054353 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 872.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 126.8±3.0 kJ/mol
Flash Point: 481.6±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 167.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3463.05
ACD/KOC (pH 5.5): 11888.80
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3463.05
ACD/KOC (pH 7.4): 11888.83
Polar Surface Area: 132 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 454.1±5.0 cm3

Click to predict properties on the Chemicalize site


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