2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-(1H-indol-5-yl)acetamide

• ChemBase ID: 219089
• Molecular Formular: C23H18N2O4
• Molecular Mass: 386.40002
• Monoisotopic Mass: 386.12665707
• SMILES: c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)CC(=O)Nc1cc2c([nH]cc2)cc1
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C)Nc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C23H18N2O4/c1-12-11-28-20-10-21-17(8-16(12)20)13(2)18(23(27)29-21)9-22(26)25-15-3-4-19-14(7-15)5-6-24-19/h3-8,10-11,24H,9H2,1-2H3,(H,25,26)
• InChIKey: RCSNXGUGUFNVGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}-N-(1H-indol-5-yl)acetamide
• IUPAC Traditional name: 2-{3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl}-N-(1H-indol-5-yl)acetamide

Database IDs

• PubChem SID: 164274999
• PubChem CID: 16409007

CALCULATED PROPERTIES

• Acid pKa: 10.942207
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.8082387
• LogD (pH = 7.4): 3.8081157
• Log P: 3.8082402
• Molar Refractivity: 109.7002 cm^3
• Polarizability: 43.365013 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