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

• ChemBase ID: 219664
• Molecular Formular: C28H28N2O4
• Molecular Mass: 456.53292
• Monoisotopic Mass: 456.20490739
• SMILES: c12c(c(c(=O)oc2cc(c2c1oc(c2C)C)C)CC(=O)NC(Cc1c[nH]c2c1cccc2)C)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C)NC(Cc1c[nH]c2c1cccc2)C
• InChI: InChI=1S/C28H28N2O4/c1-14-10-23-26(27-25(14)16(3)18(5)33-27)17(4)21(28(32)34-23)12-24(31)30-15(2)11-19-13-29-22-9-7-6-8-20(19)22/h6-10,13,15,29H,11-12H2,1-5H3,(H,30,31)
• InChIKey: LEGFFHZHBXHEPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275574
• PubChem CID: 16409555

CALCULATED PROPERTIES

• Acid pKa: 14.6742735
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.933364
• LogD (pH = 7.4): 4.933364
• Log P: 4.933364
• Molar Refractivity: 132.1191 cm^3
• Polarizability: 52.44399 Å^3
• Polar Surface Area: 84.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds