2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1H-indol-5-yl)acetamide

• ChemBase ID: 222669
• Molecular Formular: C21H18N2O4
• Molecular Mass: 362.37862
• Monoisotopic Mass: 362.12665707
• SMILES: c12oc(=O)c(c(c1ccc(c2C)O)C)CC(=O)Nc1cc2c([nH]cc2)cc1
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)ccc(c2C)O)Nc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C21H18N2O4/c1-11-15-4-6-18(24)12(2)20(15)27-21(26)16(11)10-19(25)23-14-3-5-17-13(9-14)7-8-22-17/h3-9,22,24H,10H2,1-2H3,(H,23,25)
• InChIKey: UOLLSZOHKXPZSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)-N-(1H-indol-5-yl)acetamide
• IUPAC Traditional name: 2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-(1H-indol-5-yl)acetamide

Database IDs

• PubChem SID: 164278579
• PubChem CID: 39378366

CALCULATED PROPERTIES

• Acid pKa: 8.211987
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 3.3447144
• LogD (pH = 7.4): 3.2836573
• Log P: 3.3455515
• Molar Refractivity: 102.84 cm^3
• Polarizability: 39.581753 Å^3
• Polar Surface Area: 91.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds