1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

• ChemBase ID: 198843
• Molecular Formular: C28H25NO5
• Molecular Mass: 455.5018
• Monoisotopic Mass: 455.17327291
• SMILES: c12c(C(=O)N(C2c2ccc(cc2)OC)CCc2ccc(cc2)OC)oc2c(c1=O)cc(cc2)C
• Canonical SMILES: COc1ccc(cc1)CCN1C(c2ccc(cc2)OC)c2c(C1=O)oc1c(c2=O)cc(cc1)C
• InChI: InChI=1S/C28H25NO5/c1-17-4-13-23-22(16-17)26(30)24-25(19-7-11-21(33-3)12-8-19)29(28(31)27(24)34-23)15-14-18-5-9-20(32-2)10-6-18/h4-13,16,25H,14-15H2,1-3H3
• InChIKey: NGTFBRGVNFDSCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
• IUPAC Traditional name: 1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

Database IDs

• PubChem SID: 164254753
• PubChem CID: 5154880

CALCULATED PROPERTIES

• Acid pKa: 12.381185
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.566326
• LogD (pH = 7.4): 4.566322
• Log P: 4.566326
• Molar Refractivity: 129.6975 cm^3
• Polarizability: 49.43556 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds