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

• ChemBase ID: 225570
• Molecular Formular: C25H26N2O6
• Molecular Mass: 450.48374
• Monoisotopic Mass: 450.17908656
• SMILES: c12oc(=O)c(c(c1ccc(c2OC)OC)C)CC(=O)Nc1c2ccn(c2ccc1)CCOC
• Canonical SMILES: COCCn1ccc2c1cccc2NC(=O)Cc1c(=O)oc2c(c1C)ccc(c2OC)OC
• InChI: InChI=1S/C25H26N2O6/c1-15-16-8-9-21(31-3)24(32-4)23(16)33-25(29)18(15)14-22(28)26-19-6-5-7-20-17(19)10-11-27(20)12-13-30-2/h5-11H,12-14H2,1-4H3,(H,26,28)
• InChIKey: QPOZQAMYYTUUPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281480
• PubChem CID: 71753355

CALCULATED PROPERTIES

• Acid pKa: 10.924461
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.997052
• LogD (pH = 7.4): 2.996924
• Log P: 2.9970536
• Molar Refractivity: 124.6845 cm^3
• Polarizability: 48.391876 Å^3
• Polar Surface Area: 88.02 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds