9a-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-7-ethyl-9,9-dimethyl-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one

• ChemBase ID: 206854
• Molecular Formular: C24H28N2O3
• Molecular Mass: 392.49072
• Monoisotopic Mass: 392.20999277
• SMILES: [C@]12(N(c3c(C1(C)C)cc(cc3)CC)CC(=O)N2)/C=C/c1c(cc(cc1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)OC)/C=C/[C@@]12NC(=O)CN1c1c(C2(C)C)cc(cc1)CC
• InChI: InChI=1S/C24H28N2O3/c1-6-16-7-10-20-19(13-16)23(2,3)24(25-22(27)15-26(20)24)12-11-17-8-9-18(28-4)14-21(17)29-5/h7-14H,6,15H2,1-5H3,(H,25,27)/b12-11+/t24-/m1/s1
• InChIKey: CAGIDCZCAHBXQS-UWHSVAFCSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262764
• PubChem CID: 1777398

CALCULATED PROPERTIES

• Acid pKa: 10.896197
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 5.1245637
• LogD (pH = 7.4): 5.124442
• Log P: 5.124565
• Molar Refractivity: 115.8454 cm^3
• Polarizability: 44.01407 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