N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(7-methoxy-4-oxo-4H-chromen-3-yl)oxy]benzamide

• ChemBase ID: 220478
• Molecular Formular: C28H24N2O6
• Molecular Mass: 484.49996
• Monoisotopic Mass: 484.1634365
• SMILES: c1(c(=O)c2c(oc1)cc(cc2)OC)Oc1ccc(C(=O)NCCc2c3c([nH]c2)cc(cc3)OC)cc1
• Canonical SMILES: COc1ccc2c(c1)[nH]cc2CCNC(=O)c1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OC
• InChI: InChI=1S/C28H24N2O6/c1-33-20-7-9-22-18(15-30-24(22)13-20)11-12-29-28(32)17-3-5-19(6-4-17)36-26-16-35-25-14-21(34-2)8-10-23(25)27(26)31/h3-10,13-16,30H,11-12H2,1-2H3,(H,29,32)
• InChIKey: GJHPGVQXIKAGLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(7-methoxy-4-oxo-4H-chromen-3-yl)oxy]benzamide
• IUPAC Traditional name: N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(7-methoxy-4-oxochromen-3-yl)oxy]benzamide

Database IDs

• PubChem SID: 164276388
• PubChem CID: 17572282

CALCULATED PROPERTIES

• Acid pKa: 14.873438
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 4.0973787
• LogD (pH = 7.4): 4.0973787
• Log P: 4.0973787
• Molar Refractivity: 134.871 cm^3
• Polarizability: 52.21372 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