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

• ChemBase ID: 219042
• Molecular Formular: C24H20N2O4
• Molecular Mass: 400.4266
• Monoisotopic Mass: 400.14230713
• SMILES: c1(c(c2c(oc1=O)cc1c(c(c(o1)C)C)c2)C)CC(=O)Nc1cc2c([nH]cc2)cc1
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)Nc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C24H20N2O4/c1-12-14(3)29-21-11-22-18(9-17(12)21)13(2)19(24(28)30-22)10-23(27)26-16-4-5-20-15(8-16)6-7-25-20/h4-9,11,25H,10H2,1-3H3,(H,26,27)
• InChIKey: QDULRNIDFNLVOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274952
• PubChem CID: 16408968

CALCULATED PROPERTIES

• Acid pKa: 10.942198
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.0078
• LogD (pH = 7.4): 4.007677
• Log P: 4.0078015
• Molar Refractivity: 114.8499 cm^3
• Polarizability: 45.129803 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