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

• ChemBase ID: 218531
• Molecular Formular: C26H24N2O4
• Molecular Mass: 428.47976
• Monoisotopic Mass: 428.17360726
• SMILES: c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)CC(=O)NC(Cc1c[nH]c2c1cccc2)C
• Canonical SMILES: CC(Cc1c[nH]c2c1cccc2)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C
• InChI: InChI=1S/C26H24N2O4/c1-14-13-31-23-11-24-20(9-19(14)23)16(3)21(26(30)32-24)10-25(29)28-15(2)8-17-12-27-22-7-5-4-6-18(17)22/h4-7,9,11-13,15,27H,8,10H2,1-3H3,(H,28,29)
• InChIKey: IBOJREPISZJSCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274441
• PubChem CID: 16408491

CALCULATED PROPERTIES

• Acid pKa: 14.7255335
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.2203813
• LogD (pH = 7.4): 4.2203813
• Log P: 4.2203813
• Molar Refractivity: 121.9282 cm^3
• Polarizability: 48.910862 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