N-[(3,4-dimethoxyphenyl)methyl]-2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide

• ChemBase ID: 214531
• Molecular Formular: C26H27NO6
• Molecular Mass: 449.49568
• Monoisotopic Mass: 449.18383759
• SMILES: c12c(c(c(=O)oc2cc(c2c1oc(c2C)C)C)CC(=O)NCc1cc(c(cc1)OC)OC)C
• Canonical SMILES: COc1ccc(cc1OC)CNC(=O)Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C
• InChI: InChI=1S/C26H27NO6/c1-13-9-21-24(25-23(13)14(2)16(4)32-25)15(3)18(26(29)33-21)11-22(28)27-12-17-7-8-19(30-5)20(10-17)31-6/h7-10H,11-12H2,1-6H3,(H,27,28)
• InChIKey: ITCSVHMSMHMAHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,4-dimethoxyphenyl)methyl]-2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide
• IUPAC Traditional name: N-[(3,4-dimethoxyphenyl)methyl]-2-{2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl}acetamide

Database IDs

• PubChem SID: 164270441
• PubChem CID: 4967786

CALCULATED PROPERTIES

• Acid pKa: 14.560616
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.814023
• LogD (pH = 7.4): 3.814023
• Log P: 3.8140233
• Molar Refractivity: 124.7852 cm^3
• Polarizability: 48.568474 Å^3
• Polar Surface Area: 87.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds