8-methoxy-3-[2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy]-4-methyl-6H-benzo[c]chromen-6-one

• ChemBase ID: 195589
• Molecular Formular: C28H25NO6
• Molecular Mass: 471.5012
• Monoisotopic Mass: 471.16818753
• SMILES: c1(c(n(c2c1cc(cc2)OC)C)C)C(=O)COc1c(c2oc(=O)c3c(c2cc1)ccc(c3)OC)C
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OCC(=O)c1c(C)n(c2c1cc(OC)cc2)C
• InChI: InChI=1S/C28H25NO6/c1-15-25(11-9-20-19-8-6-17(32-4)12-21(19)28(31)35-27(15)20)34-14-24(30)26-16(2)29(3)23-10-7-18(33-5)13-22(23)26/h6-13H,14H2,1-5H3
• InChIKey: PJRSRGZWESHVHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-3-[2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy]-4-methyl-6H-benzo[c]chromen-6-one
• IUPAC Traditional name: 8-methoxy-3-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one

Database IDs

• PubChem SID: 164251499
• PubChem CID: 1798965

CALCULATED PROPERTIES

• Acid pKa: 16.601091
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.719957
• LogD (pH = 7.4): 4.719957
• Log P: 4.719957
• Molar Refractivity: 132.4045 cm^3
• Polarizability: 52.648582 Å^3
• Polar Surface Area: 75.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds