N-[2-(1H-indol-3-yl)ethyl]-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 196451
• Molecular Formular: C27H22N2O4
• Molecular Mass: 438.47458
• Monoisotopic Mass: 438.15795719
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)NCCc1c[nH]c3c1cccc3)cc2)c1ccccc1
• Canonical SMILES: O=C(COc1ccc2c(c1)oc(=O)cc2c1ccccc1)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C27H22N2O4/c30-26(28-13-12-19-16-29-24-9-5-4-8-21(19)24)17-32-20-10-11-22-23(18-6-2-1-3-7-18)15-27(31)33-25(22)14-20/h1-11,14-16,29H,12-13,17H2,(H,28,30)
• InChIKey: SXFLNKHARHCSKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-2-[(2-oxo-4-phenylchromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164252361
• PubChem CID: 1800906

CALCULATED PROPERTIES

• Acid pKa: 14.773995
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.0655
• LogD (pH = 7.4): 4.0655
• Log P: 4.0655
• Molar Refractivity: 134.8221 cm^3
• Polarizability: 49.34147 Å^3
• Polar Surface Area: 80.42 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds