N-(3,5-dimethoxyphenyl)-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide

• ChemBase ID: 214638
• Molecular Formular: C24H23NO6
• Molecular Mass: 421.44252
• Monoisotopic Mass: 421.15253746
• SMILES: c1(c2c3occ(c3c(cc2oc(=O)c1CC(=O)Nc1cc(cc(c1)OC)OC)C)C)C
• Canonical SMILES: COc1cc(NC(=O)Cc2c(=O)oc3c(c2C)c2occ(c2c(c3)C)C)cc(c1)OC
• InChI: InChI=1S/C24H23NO6/c1-12-6-19-22(23-21(12)13(2)11-30-23)14(3)18(24(27)31-19)10-20(26)25-15-7-16(28-4)9-17(8-15)29-5/h6-9,11H,10H2,1-5H3,(H,25,26)
• InChIKey: QKLFZFPXMDMVQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,5-dimethoxyphenyl)-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide
• IUPAC Traditional name: N-(3,5-dimethoxyphenyl)-2-{3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl}acetamide

Database IDs

• PubChem SID: 164270548
• PubChem CID: 4967983

CALCULATED PROPERTIES

• Acid pKa: 10.846202
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.907555
• LogD (pH = 7.4): 3.9074018
• Log P: 3.9075572
• Molar Refractivity: 116.5813 cm^3
• Polarizability: 44.956745 Å^3
• Polar Surface Area: 87.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds