N-(1H-indol-5-yl)-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide

• ChemBase ID: 217725
• Molecular Formular: C24H20N2O4
• Molecular Mass: 400.4266
• Monoisotopic Mass: 400.14230713
• SMILES: c1(c2c3c(c(cc2oc(=O)c1CC(=O)Nc1cc2c([nH]cc2)cc1)C)c(co3)C)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C)Nc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C24H20N2O4/c1-12-8-19-22(23-21(12)13(2)11-29-23)14(3)17(24(28)30-19)10-20(27)26-16-4-5-18-15(9-16)6-7-25-18/h4-9,11,25H,10H2,1-3H3,(H,26,27)
• InChIKey: LEWGDBVYFUBMRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indol-5-yl)-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide
• IUPAC Traditional name: N-(1H-indol-5-yl)-2-{3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl}acetamide

Database IDs

• PubChem SID: 164273635
• PubChem CID: 16407721

CALCULATED PROPERTIES

• Acid pKa: 10.854403
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.3216596
• LogD (pH = 7.4): 4.3215094
• Log P: 4.3216615
• Molar Refractivity: 114.7414 cm^3
• Polarizability: 45.133102 Å^3
• Polar Surface Area: 84.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds