5-methoxy-3-(4-methoxyphenyl)-10-{2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-3-yl}-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione

• ChemBase ID: 227519
• Molecular Formular: C32H25NO7
• Molecular Mass: 535.5434
• Monoisotopic Mass: 535.16310215
• SMILES: c1(c(=O)n2c3c(c1)cccc3CCC2)C1c2c3c(c(=O)c(co3)c3ccc(cc3)OC)c(cc2OC(=O)C1)OC
• Canonical SMILES: COc1cc2OC(=O)CC(c2c2c1c(=O)c(co2)c1ccc(cc1)OC)c1cc2cccc3c2n(c1=O)CCC3
• InChI: InChI=1S/C32H25NO7/c1-37-20-10-8-17(9-11-20)23-16-39-31-27-21(14-26(34)40-25(27)15-24(38-2)28(31)30(23)35)22-13-19-6-3-5-18-7-4-12-33(29(18)19)32(22)36/h3,5-6,8-11,13,15-16,21H,4,7,12,14H2,1-2H3
• InChIKey: AMLDULDQZAJQRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-3-(4-methoxyphenyl)-10-{2-oxo-1-azatricyclo[7.3.1.0^5,^1^3]trideca-3,5,7,9(13)-tetraen-3-yl}-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione
• IUPAC Traditional name: 5-methoxy-3-(4-methoxyphenyl)-10-{2-oxo-1-azatricyclo[7.3.1.0^5,^1^3]trideca-3,5,7,9(13)-tetraen-3-yl}-9H,10H-pyrano[2,3-h]chromene-4,8-dione

Database IDs

• PubChem SID: 164283429
• PubChem CID: 71754649

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.2105203
• LogD (pH = 7.4): 4.210521
• Log P: 4.210521
• Molar Refractivity: 147.2711 cm^3
• Polarizability: 56.063423 Å^3
• Polar Surface Area: 91.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds