2-[(6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy]-N-[2-(1H-indol-3-yl)ethyl]propanamide

• ChemBase ID: 212654
• Molecular Formular: C24H23ClN2O4
• Molecular Mass: 438.90342
• Monoisotopic Mass: 438.13463491
• SMILES: c12c(c(cc(=O)o1)CC)cc(c(c2)OC(C(=O)NCCc1c[nH]c2c1cccc2)C)Cl
• Canonical SMILES: CCc1cc(=O)oc2c1cc(Cl)c(c2)OC(C(=O)NCCc1c[nH]c2c1cccc2)C
• InChI: InChI=1S/C24H23ClN2O4/c1-3-15-10-23(28)31-21-12-22(19(25)11-18(15)21)30-14(2)24(29)26-9-8-16-13-27-20-7-5-4-6-17(16)20/h4-7,10-14,27H,3,8-9H2,1-2H3,(H,26,29)
• InChIKey: SZXLCQJZRUOPQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl)oxy]-N-[2-(1H-indol-3-yl)ethyl]propanamide
• IUPAC Traditional name: 2-[(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy]-N-[2-(1H-indol-3-yl)ethyl]propanamide

Database IDs

• PubChem SID: 164268564
• PubChem CID: 4965504

CALCULATED PROPERTIES

• Acid pKa: 14.237624
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.5490737
• LogD (pH = 7.4): 4.5490737
• Log P: 4.5490737
• Molar Refractivity: 119.4511 cm^3
• Polarizability: 47.14561 Å^3
• Polar Surface Area: 80.42 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds