N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-{2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase ID: 216986
• Molecular Formular: C28H28N2O5
• Molecular Mass: 472.53232
• Monoisotopic Mass: 472.19982201
• SMILES: c12c(c(c(c(=O)o1)CC(=O)NCCc1c3c([nH]c1)ccc(c3)OC)C)cc1c(oc(c1C)C)c2C
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)Cc1c(=O)oc3c(c1C)cc1c(c3C)oc(c1C)C)c[nH]2
• InChI: InChI=1S/C28H28N2O5/c1-14-17(4)34-26-16(3)27-21(11-20(14)26)15(2)22(28(32)35-27)12-25(31)29-9-8-18-13-30-24-7-6-19(33-5)10-23(18)24/h6-7,10-11,13,30H,8-9,12H2,1-5H3,(H,29,31)
• InChIKey: JNWNMAOWLOJBIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-{2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-{2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl}acetamide

Database IDs

• PubChem SID: 164272896
• PubChem CID: 16407133

CALCULATED PROPERTIES

• Acid pKa: 14.743727
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.3591175
• LogD (pH = 7.4): 4.3591175
• Log P: 4.3591175
• Molar Refractivity: 134.1635 cm^3
• Polarizability: 53.099777 Å^3
• Polar Surface Area: 93.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds