7,9,9-trimethyl-9a-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one

• ChemBase ID: 207807
• Molecular Formular: C24H28N2O4
• Molecular Mass: 408.49012
• Monoisotopic Mass: 408.20490739
• SMILES: C12(N(c3c(C1(C)C)cc(cc3)C)CC(=O)N2)/C=C/c1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(/C=C/C23NC(=O)CN2c2c(C3(C)C)cc(cc2)C)cc(c1OC)OC
• InChI: InChI=1S/C24H28N2O4/c1-15-7-8-18-17(11-15)23(2,3)24(25-21(27)14-26(18)24)10-9-16-12-19(28-4)22(30-6)20(13-16)29-5/h7-13H,14H2,1-6H3,(H,25,27)/b10-9+
• InChIKey: JGPFNDXGOVTSQQ-MDZDMXLPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,9,9-trimethyl-9a-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one
• IUPAC Traditional name: 7,9,9-trimethyl-9a-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1H,3H-imidazolidino[1,2-a]indol-2-one

Database IDs

• PubChem SID: 164263717
• PubChem CID: 6216532

CALCULATED PROPERTIES

• Acid pKa: 10.731809
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 4.5223227
• LogD (pH = 7.4): 4.5221457
• Log P: 4.522325
• Molar Refractivity: 117.7076 cm^3
• Polarizability: 44.691624 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds