N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetamide

• ChemBase ID: 218380
• Molecular Formular: C26H22N2O5
• Molecular Mass: 442.46328
• Monoisotopic Mass: 442.15287181
• SMILES: c1(=O)oc2c(c3c1cccc3)ccc(c2)OCC(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)COc1ccc3c(c1)oc(=O)c1c3cccc1)c[nH]2
• InChI: InChI=1S/C26H22N2O5/c1-31-17-7-9-23-22(12-17)16(14-28-23)10-11-27-25(29)15-32-18-6-8-20-19-4-2-3-5-21(19)26(30)33-24(20)13-18/h2-9,12-14,28H,10-11,15H2,1H3,(H,27,29)
• InChIKey: FJXJOYBEOLGHIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-({6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-({6-oxobenzo[c]chromen-3-yl}oxy)acetamide

Database IDs

• PubChem SID: 164274290
• PubChem CID: 16408348

CALCULATED PROPERTIES

• Acid pKa: 14.736179
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.616598
• LogD (pH = 7.4): 3.616598
• Log P: 3.616598
• Molar Refractivity: 123.1231 cm^3
• Polarizability: 49.679256 Å^3
• Polar Surface Area: 89.65 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds