N-(2-oxo-2H-chromen-6-yl)-2-({3,4,8,8-tetramethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamide

• ChemBase ID: 219646
• Molecular Formular: C27H25NO7
• Molecular Mass: 475.4899
• Monoisotopic Mass: 475.16310215
• SMILES: c12c(oc(=O)c(c1C)C)c1c(cc2OCC(=O)Nc2cc3c(oc(=O)cc3)cc2)OC(CC1)(C)C
• Canonical SMILES: O=C(Nc1ccc2c(c1)ccc(=O)o2)COc1cc2OC(C)(C)CCc2c2c1c(C)c(C)c(=O)o2
• InChI: InChI=1S/C27H25NO7/c1-14-15(2)26(31)34-25-18-9-10-27(3,4)35-20(18)12-21(24(14)25)32-13-22(29)28-17-6-7-19-16(11-17)5-8-23(30)33-19/h5-8,11-12H,9-10,13H2,1-4H3,(H,28,29)
• InChIKey: HTIOLEJCTNZPID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-oxo-2H-chromen-6-yl)-2-({3,4,8,8-tetramethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamide
• IUPAC Traditional name: N-(2-oxochromen-6-yl)-2-({3,4,8,8-tetramethyl-2-oxo-9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamide

Database IDs

• PubChem SID: 164275556
• PubChem CID: 16409538

CALCULATED PROPERTIES

• Acid pKa: 12.624164
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 4.06697
• LogD (pH = 7.4): 4.0669675
• Log P: 4.06697
• Molar Refractivity: 129.9342 cm^3
• Polarizability: 49.012787 Å^3
• Polar Surface Area: 100.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds