6,6,16',18',18'-pentamethyl-2',4'-diazaspiro[1,5-dioxane-3,14'-pentacyclo[14.3.1.02,15.03,12.05,10]icosane]-3'(12'),4',6',8',10'-pentaene-2,4-dione

• ChemBase ID: 217714
• Molecular Formular: C26H30N2O4
• Molecular Mass: 434.5274
• Monoisotopic Mass: 434.22055745
• SMILES: C12(C3N(c4nc5c(cc4C2)cccc5)C2CC3(CC(C2)(C)C)C)C(=O)OC(OC1=O)(C)C
• Canonical SMILES: O=C1OC(C)(C)OC(=O)C21Cc1cc3ccccc3nc1N1C2C2(C)CC1CC(C2)(C)C
• InChI: InChI=1S/C26H30N2O4/c1-23(2)12-17-13-25(5,14-23)20-26(21(29)31-24(3,4)32-22(26)30)11-16-10-15-8-6-7-9-18(15)27-19(16)28(17)20/h6-10,17,20H,11-14H2,1-5H3
• InChIKey: IKIDGXCEPIMKPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,6,16',18',18'-pentamethyl-2',4'-diazaspiro[1,5-dioxane-3,14'-pentacyclo[14.3.1.0^2,^1^5.0^3,^1^2.0^5,^1^0]icosane]-3'(12'),4',6',8',10'-pentaene-2,4-dione
• IUPAC Traditional name: 6,6,16',18',18'-pentamethyl-2',4'-diazaspiro[1,5-dioxane-3,14'-pentacyclo[14.3.1.0^2,^1^5.0^3,^1^2.0^5,^1^0]icosane]-3'(12'),4',6',8',10'-pentaene-2,4-dione

Database IDs

• PubChem SID: 164273624
• PubChem CID: 16407711

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.1870975
• LogD (pH = 7.4): 5.419183
• Log P: 5.4231534
• Molar Refractivity: 119.4241 cm^3
• Polarizability: 47.991505 Å^3
• Polar Surface Area: 68.73 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds