ethyl 2-amino-5',5',7,7'-tetramethyl-3',5-dioxo-5H-4'-azaspiro[pyrano[3,2-c]pyran-4,2'-tricyclo[6.3.1.04,12]dodecane]-1'(12'),8',10'-triene-3-carboxylate

• ChemBase ID: 198570
• Molecular Formular: C25H26N2O6
• Molecular Mass: 450.48374
• Monoisotopic Mass: 450.17908656
• SMILES: C12(c3c(OC(=C1C(=O)OCC)N)cc(oc3=O)C)C(=O)N1c3c2cccc3C(CC1(C)C)C
• Canonical SMILES: CCOC(=O)C1=C(N)Oc2c(C31C(=O)N1c4c3cccc4C(CC1(C)C)C)c(=O)oc(c2)C
• InChI: InChI=1S/C25H26N2O6/c1-6-31-21(28)18-20(26)33-16-10-13(3)32-22(29)17(16)25(18)15-9-7-8-14-12(2)11-24(4,5)27(19(14)15)23(25)30/h7-10,12H,6,11,26H2,1-5H3
• InChIKey: BLRHOSLFJBCGSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-amino-5',5',7,7'-tetramethyl-3',5-dioxo-5H-4'-azaspiro[pyrano[3,2-c]pyran-4,2'-tricyclo[6.3.1.0^4,^1^2]dodecane]-1'(12'),8',10'-triene-3-carboxylate
• IUPAC Traditional name: ethyl 2-amino-5',5',7,7'-tetramethyl-3',5-dioxo-4'-azaspiro[pyrano[3,2-c]pyran-4,2'-tricyclo[6.3.1.0^4,^1^2]dodecane]-1'(12'),8',10'-triene-3-carboxylate

Database IDs

• PubChem SID: 164254480
• PubChem CID: 2958116

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.5582201
• LogD (pH = 7.4): 2.5587702
• Log P: 2.558777
• Molar Refractivity: 132.0179 cm^3
• Polarizability: 46.268303 Å^3
• Polar Surface Area: 108.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds