N-(1H-indol-6-yl)-2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 224416
• Molecular Formular: C22H20N2O4
• Molecular Mass: 376.4052
• Monoisotopic Mass: 376.14230713
• SMILES: c12oc(=O)c(c(c1ccc(c2C)OCC(=O)Nc1cc2[nH]ccc2cc1)C)C
• Canonical SMILES: O=C(Nc1ccc2c(c1)[nH]cc2)COc1ccc2c(c1C)oc(=O)c(c2C)C
• InChI: InChI=1S/C22H20N2O4/c1-12-13(2)22(26)28-21-14(3)19(7-6-17(12)21)27-11-20(25)24-16-5-4-15-8-9-23-18(15)10-16/h4-10,23H,11H2,1-3H3,(H,24,25)
• InChIKey: NHCYGXXTHCDOLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164280326
• PubChem CID: 51052366

CALCULATED PROPERTIES

• Acid pKa: 12.429298
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.845102
• LogD (pH = 7.4): 3.845098
• Log P: 3.845102
• Molar Refractivity: 107.1405 cm^3
• Polarizability: 41.496376 Å^3
• Polar Surface Area: 80.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds