9a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7,9,9-trimethyl-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one

• ChemBase ID: 210070
• Molecular Formular: C24H28N2O3
• Molecular Mass: 392.49072
• Monoisotopic Mass: 392.20999277
• SMILES: C12(N(c3c(C1(C)C)cc(cc3)C)CC(=O)N2)/C=C/c1cc(c(cc1)OCC)OC
• Canonical SMILES: CCOc1ccc(cc1OC)/C=C/C12NC(=O)CN1c1c(C2(C)C)cc(cc1)C
• InChI: InChI=1S/C24H28N2O3/c1-6-29-20-10-8-17(14-21(20)28-5)11-12-24-23(3,4)18-13-16(2)7-9-19(18)26(24)15-22(27)25-24/h7-14H,6,15H2,1-5H3,(H,25,27)/b12-11+
• InChIKey: QGZZQLSJPSKXQZ-VAWYXSNFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7,9,9-trimethyl-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one
• IUPAC Traditional name: 9a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-7,9,9-trimethyl-1H,3H-imidazolidino[1,2-a]indol-2-one

Database IDs

• PubChem SID: 164265980
• PubChem CID: 6216798

CALCULATED PROPERTIES

• Acid pKa: 10.78206
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 5.0368023
• LogD (pH = 7.4): 5.036645
• Log P: 5.036804
• Molar Refractivity: 115.993 cm^3
• Polarizability: 44.014805 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds