2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(1H-indol-4-yl)acetamide

• ChemBase ID: 225735
• Molecular Formular: C22H20N2O5
• Molecular Mass: 392.4046
• Monoisotopic Mass: 392.13722175
• SMILES: c12oc(=O)c(c(c1ccc(c2OC)OC)C)CC(=O)Nc1c2c([nH]cc2)ccc1
• Canonical SMILES: COc1c(OC)ccc2c1oc(=O)c(c2C)CC(=O)Nc1cccc2c1cc[nH]2
• InChI: InChI=1S/C22H20N2O5/c1-12-13-7-8-18(27-2)21(28-3)20(13)29-22(26)15(12)11-19(25)24-17-6-4-5-16-14(17)9-10-23-16/h4-10,23H,11H2,1-3H3,(H,24,25)
• InChIKey: YWDOVCINCNULHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(1H-indol-4-yl)acetamide
• IUPAC Traditional name: 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1H-indol-4-yl)acetamide

Database IDs

• PubChem SID: 164281645
• PubChem CID: 71753511

CALCULATED PROPERTIES

• Acid pKa: 10.924513
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.8203514
• LogD (pH = 7.4): 2.8202233
• Log P: 2.820353
• Molar Refractivity: 108.7443 cm^3
• Polarizability: 42.2529 Å^3
• Polar Surface Area: 89.65 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds