ChemSpider 2D Image | N-(3-Hydroxy-6-methoxy-17-methyl-5-oxo-7,8-didehydro-18,19-dihydro-6,14-ethenomorphinan-18-yl)-2-(4-isothiocyanatophenyl)acetamide | C29H29N3O4S

N-(3-Hydroxy-6-methoxy-17-methyl-5-oxo-7,8-didehydro-18,19-dihydro-6,14-ethenomorphinan-18-yl)-2-(4-isothiocyanatophenyl)acetamide

  • Molecular FormulaC29H29N3O4S
  • Average mass515.623 Da
  • Monoisotopic mass515.187866 Da
  • ChemSpider ID129537

More details:

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

Benzeneacetamide, N-(7,8-didehydro-18,19-dihydro-3-hydroxy-6-methoxy-17-methyl-5-oxo-6,14-ethenomorphinan-18-yl)-4-isothiocyanato- [ACD/Index Name]
N-(3-Hydroxy-6-methoxy-17-methyl-5-oxo-7,8-didehydro-18,19-dihydro-6,14-ethenomorphinan-18-yl)-2-(4-isothiocyanatophenyl)acetamid [German] [ACD/IUPAC Name]
N-(3-Hydroxy-6-methoxy-17-methyl-5-oxo-7,8-didehydro-18,19-dihydro-6,14-ethenomorphinan-18-yl)-2-(4-isothiocyanatophenyl)acetamide [ACD/IUPAC Name]
N-(3-Hydroxy-6-méthoxy-17-méthyl-5-oxo-7,8-didéhydro-18,19-dihydro-6,14-éthénomorphinane-18-yl)-2-(4-isothiocyanatophényl)acétamide [French] [ACD/IUPAC Name]
6,14-Endoetheno-7α-(p-isothiocyanatophenylacetylamino)tetrahydrooripavine
95386-99-5 [RN]
Benzeneacetamide, N-((5α,7α)-4,5-eoxy-3-hydroxy-6-methoxy-17-methyl-6,14-ethenomorphinan-7-yl)-4-isothiocyanato-

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

Nih 10358 [DBID]
Nih-10358 [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: 778.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 424.7±32.9 °C
Index of Refraction: 1.705
Molar Refractivity: 143.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 4.29
ACD/KOC (pH 5.5): 30.63
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 143.51
ACD/KOC (pH 7.4): 1025.43
Polar Surface Area: 123 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 369.3±7.0 cm3

Click to predict properties on the Chemicalize site


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