5-methoxy-3-(4-methoxyphenyl)-10-(1-methyl-1H-pyrazol-4-yl)-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione

• ChemBase ID: 227466
• Molecular Formular: C24H20N2O6
• Molecular Mass: 432.4254
• Monoisotopic Mass: 432.13213637
• SMILES: c12c(c3C(c4cn(nc4)C)CC(=O)Oc3cc2OC)occ(c1=O)c1ccc(cc1)OC
• Canonical SMILES: COc1cc2OC(=O)CC(c2c2c1c(=O)c(co2)c1ccc(cc1)OC)c1cnn(c1)C
• InChI: InChI=1S/C24H20N2O6/c1-26-11-14(10-25-26)16-8-20(27)32-19-9-18(30-3)22-23(28)17(12-31-24(22)21(16)19)13-4-6-15(29-2)7-5-13/h4-7,9-12,16H,8H2,1-3H3
• InChIKey: LIKOXBJIIFQIOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-3-(4-methoxyphenyl)-10-(1-methyl-1H-pyrazol-4-yl)-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione
• IUPAC Traditional name: 5-methoxy-3-(4-methoxyphenyl)-10-(1-methylpyrazol-4-yl)-9H,10H-pyrano[2,3-h]chromene-4,8-dione

Database IDs

• PubChem SID: 164283376
• PubChem CID: 71754597

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.7837422
• LogD (pH = 7.4): 2.7838314
• Log P: 2.7838326
• Molar Refractivity: 126.6109 cm^3
• Polarizability: 44.038555 Å^3
• Polar Surface Area: 88.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds