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

• ChemBase ID: 219760
• Molecular Formular: C30H24N2O4
• Molecular Mass: 476.52256
• Monoisotopic Mass: 476.17360726
• SMILES: c1(c(c2c(oc1=O)cc1c(c(co1)c1ccccc1)c2)C)CC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C30H24N2O4/c1-18-22-13-24-25(19-7-3-2-4-8-19)17-35-27(24)15-28(22)36-30(34)23(18)14-29(33)31-12-11-20-16-32-26-10-6-5-9-21(20)26/h2-10,13,15-17,32H,11-12,14H2,1H3,(H,31,33)
• InChIKey: RDPYVRRJBPSNIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275670
• PubChem CID: 16409652

CALCULATED PROPERTIES

• Acid pKa: 14.772523
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.93761
• LogD (pH = 7.4): 4.93761
• Log P: 4.93761
• Molar Refractivity: 137.6044 cm^3
• Polarizability: 56.33122 Å^3
• Polar Surface Area: 84.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds