2-{4,9-dimethyl-7-oxo-3-phenyl-7H-furo[2,3-f]chromen-8-yl}-N-[(2R)-2-hydroxypropyl]acetamide

• ChemBase ID: 217054
• Molecular Formular: C24H23NO5
• Molecular Mass: 405.44312
• Monoisotopic Mass: 405.15762284
• SMILES: c1(c2c3c(c(co3)c3ccccc3)c(cc2oc(=O)c1CC(=O)NC[C@H](O)C)C)C
• Canonical SMILES: C[C@H](CNC(=O)Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)c1ccccc1)O
• InChI: InChI=1S/C24H23NO5/c1-13-9-19-22(23-21(13)18(12-29-23)16-7-5-4-6-8-16)15(3)17(24(28)30-19)10-20(27)25-11-14(2)26/h4-9,12,14,26H,10-11H2,1-3H3,(H,25,27)
• InChIKey: QSXCNSMLHGKJHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4,9-dimethyl-7-oxo-3-phenyl-7H-furo[2,3-f]chromen-8-yl}-N-[(2R)-2-hydroxypropyl]acetamide
• IUPAC Traditional name: 2-{4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl}-N-[(2R)-2-hydroxypropyl]acetamide

Database IDs

• PubChem SID: 164272964
• PubChem CID: 8016503

CALCULATED PROPERTIES

• Acid pKa: 14.549968
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.0656083
• LogD (pH = 7.4): 3.0656083
• Log P: 3.0656083
• Molar Refractivity: 112.9026 cm^3
• Polarizability: 45.675568 Å^3
• Polar Surface Area: 88.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds