2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide

• ChemBase ID: 219079
• Molecular Formular: C25H26N2O6
• Molecular Mass: 450.48374
• Monoisotopic Mass: 450.17908656
• SMILES: c12oc(=O)c(c(c1ccc(c2OC)OC)C)CC(=O)NCCc1c2c([nH]c1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)[nH]cc2CCNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2OC)OC
• InChI: InChI=1S/C25H26N2O6/c1-14-17-7-8-21(31-3)24(32-4)23(17)33-25(29)19(14)12-22(28)26-10-9-15-13-27-20-11-16(30-2)5-6-18(15)20/h5-8,11,13,27H,9-10,12H2,1-4H3,(H,26,28)
• InChIKey: MNPBDIZMYJUHKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164274989
• PubChem CID: 16408999

CALCULATED PROPERTIES

• Acid pKa: 14.663755
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.6582475
• LogD (pH = 7.4): 2.6582475
• Log P: 2.6582475
• Molar Refractivity: 123.0167 cm^3
• Polarizability: 48.463154 Å^3
• Polar Surface Area: 98.88 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds