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Search term: GTYWVNGLHQVHBJ-FRGGEYDCSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | SCH-540679 | C26H29FN2O2

SCH-540679

  • Molecular FormulaC26H29FN2O2
  • Average mass420.519 Da
  • Monoisotopic mass420.221313 Da
  • ChemSpider ID24708975

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3R,3aS,4S,4aR,7R,8aR,9aR)-7-Amino-4-{(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]vinyl}-3-methyldecahydronaphtho[2,3-c]furan-1(3H)-one [ACD/IUPAC Name]
(3R,3aS,4S,4aR,7R,8aR,9aR)-7-Amino-4-{(E)-2-[5-(3-fluorophényl)-2-pyridinyl]vinyl}-3-méthyldécahydronaphto[2,3-c]furan-1(3H)-one [French] [ACD/IUPAC Name]
(3R,3aS,4S,4aR,7R,8aR,9aR)-7-Amino-4-{(E)-2-[5-(3-fluorphenyl)-2-pyridinyl]vinyl}-3-methyldecahydronaphtho[2,3-c]furan-1(3H)-on [German] [ACD/IUPAC Name]
618386-15-5 [RN]
Naphtho[2,3-c]furan-1(3H)-one, 7-amino-4-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]decahydro-3-methyl-, (3R,3aS,4S,4aR,7R,8aR,9aR)- [ACD/Index Name]
SCH-540679
(3R,3aS,4S,4aR,7R,8aR,9aR,E)-7-amino-4-(2-(5-(3-fluorophenyl)pyridin-2-yl)vinyl)-3-methyl-decahydronaphtho[2,3-c]furan-1(3H)-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL498785/

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

513C7Y5G0B [DBID]
UNII:513C7Y5G0B [DBID]
UNII-513C7Y5G0B [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: 606.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.8±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 121.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.65
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.69
Polar Surface Area: 65 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 348.6±3.0 cm3

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